qespresso.absorptionspec ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation | |
Template attributes ​
| Attribute | Value |
|---|---|
| source | QuantumEspresso absorption spectra |
| id | qespresso.absorptionspec |
| name | QuantumEspresso absorption spectra |
| xml:base | topTemplate.xml |
Input ​
#Chi is reported as CHI_(i)_(j) \hbar \omega (Ry) Re(chi) (e^2*a_0^2/Ry) Im(chi) (e^2*a_0^2/Ry)
# S(E) satisfies the sum rule
chi_1_1= 0.000000000000000E+00 0.422245776414298E+02 -.000000000000000E+00
chi_2_1= 0.000000000000000E+00 -.147286859214926E-03 0.000000000000000E+00
chi_3_1= 0.000000000000000E+00 -.339326078801105E-03 0.000000000000000E+00
chi_1_2= 0.000000000000000E+00 -.146449788512968E-03 0.000000000000000E+00
chi_2_2= 0.000000000000000E+00 0.420385841029452E+02 -.000000000000000E+00
chi_3_2= 0.000000000000000E+00 -.182462228215847E-03 0.000000000000000E+00
chi_1_3= 0.000000000000000E+00 -.345514024176416E-03 0.000000000000000E+00
chi_2_3= 0.000000000000000E+00 -.188650669248007E-03 0.000000000000000E+00
chi_3_3= 0.000000000000000E+00 0.233875217563166E+02 -.000000000000000E+00
S(E)= 0.000000000000000E+00 -.000000000000000E+00
chi_1_1= 0.100000000000000E-02 0.422246566926764E+02 0.158298800630652E-02
chi_2_1= 0.100000000000000E-02 -.147286900077736E-03 -.795082387486767E-09
chi_3_1= 0.100000000000000E-02 -.339327682134668E-03 -.321229645338830E-07
chi_1_2= 0.100000000000000E-02 -.146449817513940E-03 -.557059576520983E-09
chi_2_2= 0.100000000000000E-02 0.420386624444946E+02 0.156877071376177E-02
chi_3_2= 0.100000000000000E-02 -.182463573347345E-03 -.269541608482226E-07
chi_1_3= 0.100000000000000E-02 -.345515728781820E-03 -.341562549153396E-07
chi_2_3= 0.100000000000000E-02 -.188652115299501E-03 -.289803609482426E-07
chi_3_3= 0.100000000000000E-02 0.233875494097298E+02 0.553583630533050E-03
S(E)= 0.100000000000000E-02 0.393149033963964E-06
chi_1_1= 0.200000000000000E-02 0.422248938493409E+02 0.316603471616343E-02
chi_2_1= 0.200000000000000E-02 -.147287022633307E-03 -.158950225258126E-08
chi_3_1= 0.200000000000000E-02 -.339332492219166E-03 -.642476122846316E-07
chi_1_2= 0.200000000000000E-02 -.146449904482827E-03 -.111343313727631E-08
chi_2_2= 0.200000000000000E-02 0.420388974720328E+02 0.313759943294250E-02
chi_3_2= 0.200000000000000E-02 -.182467608818544E-03 -.539098624821297E-07
chi_1_3= 0.200000000000000E-02 -.345520842693488E-03 -.683144277248556E-07
chi_2_3= 0.200000000000000E-02 -.188656453542257E-03 -.579624957653050E-07
chi_3_3= 0.200000000000000E-02 0.233876323707373E+02 0.110718267371588E-02
S(E)= 0.200000000000000E-02 0.157262417293422E-05
chi_1_1= 0.300000000000000E-02 0.422252891201967E+02 0.474919883955041E-02
chi_2_1= 0.300000000000000E-02 -.147287226783051E-03 -.238259691398189E-08
chi_3_1= 0.300000000000000E-02 -.339340509306033E-03 -.963756266799247E-07
chi_1_2= 0.300000000000000E-02 -.146450049317541E-03 -.166843450314510E-08
chi_2_2= 0.300000000000000E-02 0.420392891942288E+02 0.470654416930070E-02
chi_3_2= 0.300000000000000E-02 -.182474334859580E-03 -.808686458853628E-07
chi_1_3= 0.300000000000000E-02 -.345529366197795E-03 -.102476436586067E-06
chi_2_3= 0.300000000000000E-02 -.188663684241114E-03 -.869481785699819E-07
chi_3_3= 0.300000000000000E-02 0.233877706416436E+02 0.166081254371007E-02
S(E)= 0.300000000000000E-02 0.353850953269154E-05
chi_1_1= 0.400000000000000E-02 0.422258425198675E+02 0.633253909930708E-02
chi_2_1= 0.400000000000000E-02 -.147287512362628E-03 -.317370337251865E-08
chi_3_1= 0.400000000000000E-02 -.339351733814362E-03 -.128508691569115E-06
chi_1_2= 0.400000000000000E-02 -.146450251847904E-03 -.222137716824410E-08
chi_2_2= 0.400000000000000E-02 0.420398376255326E+02 0.627566294727553E-02
chi_3_2= 0.400000000000000E-02 -.182483751854042E-03 -.107832052437524E-06
chi_1_3= 0.400000000000000E-02 -.345541299772074E-03 -.136644200183243E-06
chi_2_3= 0.400000000000000E-02 -.188673807837507E-03 -.115939183981082E-06
chi_3_3= 0.400000000000000E-02 0.233879642262896E+02 0.221448865770112E-02
S(E)= 0.400000000000000E-02 0.629094532135745E-05
chi_1_1= 0.500000000000000E-02 0.422265540688287E+02 0.791611423756634E-02
chi_2_1= 0.500000000000000E-02 -.147287879141907E-03 -.396215815209310E-08
chi_3_1= 0.500000000000000E-02 -.339366166330956E-03 -.160648491434187E-06
chi_1_2= 0.500000000000000E-02 -.146450511835612E-03 -.277157413642052E-08
chi_2_2= 0.500000000000000E-02 0.420405427861765E+02 0.784501381033037E-02
chi_3_2= 0.500000000000000E-02 -.182495860339023E-03 -.134801624112270E-06
chi_1_3= 0.500000000000000E-02 -.345556644084687E-03 -.170819637990947E-06
chi_2_3= 0.500000000000000E-02 -.188686824949538E-03 -.144937287367595E-06
chi_3_3= 0.500000000000000E-02 0.233882131300530E+02 0.276822643741117E-02
S(E)= 0.500000000000000E-02 0.983012786212910E-05
chi_1_1= 0.600000000000000E-02 0.422274237934101E+02 0.949998302219213E-02
chi_2_1= 0.600000000000000E-02 -.147288326824913E-03 -.474729714047376E-08
chi_3_1= 0.600000000000000E-02 -.339383807610402E-03 -.192796711600857E-06
chi_1_2= 0.600000000000000E-02 -.146450828974177E-03 -.331833775758966E-08
chi_2_2= 0.600000000000000E-02 0.420414047021765E+02 0.941465482730062E-02
chi_3_2= 0.600000000000000E-02 -.182510661005191E-03 -.161778903675543E-06
chi_1_3= 0.600000000000000E-02 -.345575399995112E-03 -.205004670537783E-06
chi_2_3= 0.600000000000000E-02 -.188702736372052E-03 -.173944265099057E-06
chi_3_3= 0.600000000000000E-02 0.233885173598491E+02 0.332204131061286E-02
S(E)= 0.600000000000000E-02 0.141563096251174E-04
chi_1_1= 0.700000000000000E-02 0.422284517257971E+02 0.110842042532223E-01
chi_2_1= 0.700000000000000E-02 -.147288855049751E-03 -.552845542988730E-08
chi_3_1= 0.700000000000000E-02 -.339404658575164E-03 -.224955038449870E-06
chi_1_2= 0.700000000000000E-02 -.146451202888854E-03 -.386097956386779E-08
chi_2_2= 0.700000000000000E-02 0.420424234053366E+02 0.109846440987469E-01
chi_3_2= 0.700000000000000E-02 -.182528154696874E-03 -.188765434883983E-06
chi_1_3= 0.700000000000000E-02 -.345597568554061E-03 -.239201219670407E-06
chi_2_3= 0.700000000000000E-02 -.188721543076758E-03 -.202961894796163E-06
chi_3_3= 0.700000000000000E-02 0.233888769241311E+02 0.387594871264430E-02
S(E)= 0.700000000000000E-02 0.192697992682969E-04
chi_1_1= 0.800000000000000E-02 0.422296379040368E+02 0.126688367693187E-01
chi_2_1= 0.800000000000000E-02 -.147289463388525E-03 -.630496715736085E-08
chi_3_1= 0.800000000000000E-02 -.339428720315700E-03 -.257125159628532E-06
chi_1_2= 0.800000000000000E-02 -.146451633136552E-03 -.439881010545289E-08
chi_2_2= 0.800000000000000E-02 0.420435989332508E+02 0.125550397633152E-01
chi_3_2= 0.800000000000000E-02 -.182548342412171E-03 -.215762762683574E-06
chi_1_3= 0.800000000000000E-02 -.345623151003623E-03 -.273411208817873E-06
chi_2_3= 0.800000000000000E-02 -.188743246212359E-03 -.231991955581710E-06
chi_3_3= 0.800000000000000E-02 0.233892918328911E+02 0.442996408792577E-02
S(E)= 0.800000000000000E-02 0.251709616875803E-04
chi_1_1= 0.900000000000000E-02 0.422309823720400E+02 0.142539394542259E-01
chi_2_1= 0.900000000000000E-02 -.147290151347231E-03 -.707616534477454E-08
chi_3_1= 0.900000000000000E-02 -.339455994090595E-03 -.289308764262537E-06
chi_1_2= 0.900000000000000E-02 -.146452119205729E-03 -.493113878619453E-08
chi_2_2= 0.900000000000000E-02 0.420449313293082E+02 0.141259000041049E-01
chi_3_2= 0.900000000000000E-02 -.182571225303078E-03 -.242772433408553E-06
chi_1_3= 0.900000000000000E-02 -.345652148777439E-03 -.307636563256395E-06
chi_2_3= 0.900000000000000E-02 -.188767847104719E-03 -.261036228331930E-06
chi_3_3= 0.900000000000000E-02 0.233897620976612E+02 0.498410289147842E-02
S(E)= 0.900000000000000E-02 0.318602180760309E-04
chi_1_1= 0.100000000000000E-01 0.422324851795871E+02 0.158395712432385E-01
chi_2_1= 0.100000000000000E-01 -.147290918365644E-03 -.784138173855070E-08
chi_3_1= 0.100000000000000E-01 -.339486481326724E-03 -.321507543168127E-06
chi_1_2= 0.100000000000000E-01 -.146452660516270E-03 -.545727369880718E-08
chi_2_2= 0.100000000000000E-01 0.420464206426974E+02 0.156972830550466E-01
chi_3_2= 0.100000000000000E-01 -.182596804675637E-03 -.269795994980653E-06
chi_1_3= 0.100000000000000E-01 -.345684563500889E-03 -.341879210374559E-06
chi_2_3= 0.100000000000000E-01 -.188795347257042E-03 -.290096495928262E-06
chi_3_3= 0.100000000000000E-01 0.233902877315145E+02 0.553838059044518E-02
S(E)= 0.100000000000000E-01 0.393380459922301E-04
chi_1_1= 0.110000000000000E-01 0.422341463823329E+02 0.174257911296807E-01
chi_2_1= 0.110000000000000E-01 -.147291763817178E-03 -.859994664895484E-08
chi_3_1= 0.110000000000000E-01 -.339520183619424E-03 -.353723189064641E-06
chi_1_2= 0.110000000000000E-01 -.146453256419351E-03 -.597652145967357E-08
chi_2_2= 0.110000000000000E-01 0.420480669284117E+02 0.172692472072913E-01
chi_3_2= 0.110000000000000E-01 -.182625081990103E-03 -.296834997108704E-06
chi_1_3= 0.110000000000000E-01 -.345720396991327E-03 -.376141079939095E-06
chi_2_3= 0.110000000000000E-01 -.188825748350091E-03 -.319174543509655E-06
chi_3_3= 0.110000000000000E-01 0.233908687490663E+02 0.609281266561437E-02
S(E)= 0.110000000000000E-01 0.476049794378205E-04
chi_1_1= 0.120000000000000E-01 0.422359660418135E+02 0.190126581713984E-01
chi_2_1= 0.120000000000000E-01 -.147292687008741E-03 -.935118878894516E-08
chi_3_1= 0.120000000000000E-01 -.339557102732697E-03 -.385957396787500E-06
chi_1_2= 0.120000000000000E-01 -.146453906197282E-03 -.648818704318533E-08
chi_2_2= 0.120000000000000E-01 0.420498702472554E+02 0.188418508156102E-01
chi_3_2= 0.120000000000000E-01 -.182656058861130E-03 -.323890991488644E-06
chi_1_3= 0.120000000000000E-01 -.345759651258316E-03 -.410424104361243E-06
chi_2_3= 0.120000000000000E-01 -.188859052242421E-03 -.348272158725446E-06
chi_3_3= 0.120000000000000E-01 0.233915051664758E+02 0.664741461294614E-02
S(E)= 0.120000000000000E-01 0.566616089442455E-04
chi_1_1= 0.130000000000000E-01 0.422379442254523E+02 0.206002314972640E-01
chi_2_1= 0.130000000000000E-01 -.147293687180563E-03 -.100944351125145E-07
chi_3_1= 0.130000000000000E-01 -.339597240599430E-03 -.418211863501671E-06
chi_1_2= 0.130000000000000E-01 -.146454609063337E-03 -.699157361557138E-08
chi_2_2= 0.130000000000000E-01 0.420518306658503E+02 0.204151523048108E-01
chi_3_2= 0.130000000000000E-01 -.182689737057980E-03 -.350965532003996E-06
chi_1_3= 0.130000000000000E-01 -.345802328503916E-03 -.444730218963796E-06
chi_2_3= 0.130000000000000E-01 -.188895260970636E-03 -.377391131988881E-06
chi_3_3= 0.130000000000000E-01 0.233921970014473E+02 0.720220194510236E-02
S(E)= 0.130000000000000E-01 0.665085816687115E-04
chi_1_1= 0.140000000000000E-01 0.422400810065673E+02 0.221885703136971E-01
chi_2_1= 0.140000000000000E-01 -.147294763506020E-03 -.108290106524912E-07
chi_3_1= 0.140000000000000E-01 -.339640599321635E-03 -.450488288915665E-06
chi_1_2= 0.140000000000000E-01 -.146455364161566E-03 -.748598236815533E-08
chi_2_2= 0.140000000000000E-01 0.420539482566428E+02 0.219892101761657E-01
chi_3_2= 0.140000000000000E-01 -.182726118504749E-03 -.378060174926848E-06
chi_1_3= 0.140000000000000E-01 -.345848431122979E-03 -.479061362248893E-06
chi_2_3= 0.140000000000000E-01 -.188934376749684E-03 -.406533256731368E-06
chi_3_3= 0.140000000000000E-01 0.233929442732323E+02 0.775719019298002E-02
S(E)= 0.140000000000000E-01 0.771466014993996E-04
chi_1_1= 0.150000000000000E-01 0.422423764643799E+02 0.237777339112032E-01
chi_2_1= 0.150000000000000E-01 -.147295915091433E-03 -.115542383577303E-07
chi_3_1= 0.150000000000000E-01 -.339687181170715E-03 -.482788375496129E-06
chi_1_2= 0.150000000000000E-01 -.146456170566596E-03 -.797071235000299E-08
chi_2_2= 0.150000000000000E-01 0.420562230979119E+02 0.235640830138592E-01
chi_3_2= 0.150000000000000E-01 -.182765205280615E-03 -.405176479119381E-06
chi_1_3= 0.150000000000000E-01 -.345897961703477E-03 -.513419476166619E-06
chi_2_3= 0.150000000000000E-01 -.188976401973165E-03 -.435700329657485E-06
chi_3_3= 0.150000000000000E-01 0.233937470026310E+02 0.831239490724856E-02
S(E)= 0.150000000000000E-01 0.885764291699574E-04
chi_1_1= 0.160000000000000E-01 0.422448306840231E+02 0.253677816709286E-01
chi_2_1= 0.160000000000000E-01 -.147297140975856E-03 -.122694389296569E-07
chi_3_1= 0.160000000000000E-01 -.339736988587748E-03 -.515113828683053E-06
chi_1_2= 0.160000000000000E-01 -.146457027283405E-03 -.844506029988959E-08
chi_2_2= 0.160000000000000E-01 0.420586552737784E+02 0.251398294914513E-01
chi_3_2= 0.160000000000000E-01 -.182806999620104E-03 -.432316006236001E-06
chi_1_3= 0.160000000000000E-01 -.345950923026862E-03 -.547806506384491E-06
chi_2_3= 0.160000000000000E-01 -.189021339213665E-03 -.464894151000858E-06
chi_3_3= 0.160000000000000E-01 0.233946052119950E+02 0.886783165989158E-02
S(E)= 0.160000000000000E-01 0.100798882383304E-03
chi_1_1= 0.170000000000000E-01 0.422474437565504E+02 0.269587730712356E-01
chi_2_1= 0.170000000000000E-01 -.147298440130839E-03 -.129739306580939E-07
chi_3_1= 0.170000000000000E-01 -.339790024183788E-03 -.547466357105660E-06
chi_1_2= 0.170000000000000E-01 -.146457933247088E-03 -.890832047754707E-08
chi_2_2= 0.170000000000000E-01 0.420612448742126E+02 0.267165083783613E-01
chi_3_2= 0.170000000000000E-01 -.182851503913376E-03 -.459480320926108E-06
chi_1_3= 0.170000000000000E-01 -.346007318068444E-03 -.582224402557887E-06
chi_2_3= 0.170000000000000E-01 -.189069191223124E-03 -.494116524780930E-06
chi_3_3= 0.170000000000000E-01 0.233955189252285E+02 0.942351604575312E-02
S(E)= 0.170000000000000E-01 0.113814835944781E-03
chi_1_1= 0.180000000000000E-01 0.422502157789467E+02 0.285507676942997E-01
chi_2_1= 0.180000000000000E-01 -.147299811460188E-03 -.136670292563442E-07
chi_3_1= 0.180000000000000E-01 -.339846290740201E-03 -.579847672799050E-06
chi_1_2= 0.180000000000000E-01 -.146458887322601E-03 -.935978449413184E-08
chi_2_2= 0.180000000000000E-01 0.420639919950459E+02 0.282941785463710E-01
chi_3_2= 0.180000000000000E-01 -.182898720706534E-03 -.486670991037579E-06
chi_1_3= 0.180000000000000E-01 -.346067149997800E-03 -.616675118601513E-06
chi_2_3= 0.180000000000000E-01 -.189119960933220E-03 -.523369259060727E-06
chi_3_3= 0.180000000000000E-01 0.233964881677917E+02 0.997946368408886E-02
S(E)= 0.180000000000000E-01 0.127625221904695E-03
chi_1_1= 0.190000000000000E-01 0.422531468541381E+02 0.301438252327274E-01
chi_2_1= 0.190000000000000E-01 -.147301253799703E-03 -.143480476954606E-07
chi_3_1= 0.190000000000000E-01 -.339905791209005E-03 -.612259491421588E-06
chi_1_2= 0.190000000000000E-01 -.146459888304495E-03 -.979874114186375E-08
chi_2_2= 0.190000000000000E-01 0.420668967379800E+02 0.298728989761524E-01
chi_3_2= 0.190000000000000E-01 -.182948652701954E-03 -.513889587820964E-06
chi_1_3= 0.190000000000000E-01 -.346130422179214E-03 -.651160612961947E-06
chi_2_3= 0.190000000000000E-01 -.189173651455785E-03 -.552654166205667E-06
chi_3_3= 0.190000000000000E-01 0.233975129667025E+02 0.105356902201228E-01
S(E)= 0.190000000000000E-01 0.142231029710287E-03
chi_1_1= 0.200000000000000E-01 0.422562370910038E+02 0.317380054961993E-01
chi_2_1= 0.200000000000000E-01 -.147302765916889E-03 -.150162960376412E-07
chi_3_1= 0.200000000000000E-01 -.339968528713243E-03 -.644703532473158E-06
chi_1_2= 0.200000000000000E-01 -.146460934916623E-03 -.102244762227758E-07
chi_2_2= 0.200000000000000E-01 0.420699592105986E+02 0.314527287638159E-01
chi_3_2= 0.200000000000000E-01 -.183001302758627E-03 -.541137686134494E-06
chi_1_3= 0.200000000000000E-01 -.346197138172134E-03 -.685682848891352E-06
chi_2_3= 0.200000000000000E-01 -.189230266083243E-03 -.581973063143481E-06
chi_3_3= 0.200000000000000E-01 0.233985933505395E+02 0.110922113266093E-01
S(E)= 0.200000000000000E-01 0.157633306367168E-03
chi_1_1= 0.210000000000000E-01 0.422594866043877E+02 0.333333684181386E-01
chi_2_1= 0.210000000000000E-01 -.147304346510670E-03 -.156710812687300E-07
chi_3_1= 0.210000000000000E-01 -.340034506547381E-03 -.677181519514279E-06
chi_1_2= 0.210000000000000E-01 -.146462025811840E-03 -.106362723765246E-07
chi_2_2= 0.210000000000000E-01 0.420731795263789E+02 0.330337271274854E-01
chi_3_2= 0.210000000000000E-01 -.183056673892530E-03 -.568416864649910E-06
chi_1_3= 0.210000000000000E-01 -.346267301731665E-03 -.720243794722421E-06
chi_2_3= 0.210000000000000E-01 -.189289808289077E-03 -.611327771625319E-06
chi_3_3= 0.210000000000000E-01 0.233997293494450E+02 0.116490427054015E-01
S(E)= 0.210000000000000E-01 0.173833156610280E-03
chi_1_1= 0.220000000000000E-01 0.422628955151109E+02 0.349299740624052E-01
chi_2_1= 0.220000000000000E-01 -.147305994211071E-03 -.163117071297343E-07
chi_3_1= 0.220000000000000E-01 -.340103728177712E-03 -.709695180386173E-06
chi_1_2= 0.220000000000000E-01 -.146463159571679E-03 -.110334089072078E-07
chi_2_2= 0.220000000000000E-01 0.420765578047047E+02 0.346159534138997E-01
chi_3_2= 0.220000000000000E-01 -.183114769277017E-03 -.595728706059191E-06
chi_1_3= 0.220000000000000E-01 -.346340916809085E-03 -.754845424144631E-06
chi_2_3= 0.220000000000000E-01 -.189352281728318E-03 -.640720118488110E-06
chi_3_3= 0.220000000000000E-01 0.234009209951274E+02 0.122062000890255E-01
S(E)= 0.220000000000000E-01 0.190831743084423E-03
chi_1_1= 0.230000000000000E-01 0.422664639499856E+02 0.365278826300193E-01
chi_2_1= 0.230000000000000E-01 -.147307707578890E-03 -.169374739473198E-07
chi_3_1= 0.230000000000000E-01 -.340176197242798E-03 -.742246247431787E-06
chi_1_2= 0.230000000000000E-01 -.146464334706014E-03 -.114151616091309E-07
chi_2_2= 0.230000000000000E-01 0.420800941708782E+02 0.361994671050411E-01
chi_3_2= 0.230000000000000E-01 -.183175592243224E-03 -.623074797282203E-06
chi_1_3= 0.230000000000000E-01 -.346417987552394E-03 -.789489716481883E-06
chi_2_3= 0.230000000000000E-01 -.189417690238062E-03 -.670151935918252E-06
chi_3_3= 0.230000000000000E-01 0.234021683208649E+02 0.127636992422620E-01
S(E)= 0.230000000000000E-01 0.208630286534400E-03
chi_1_1= 0.240000000000000E-01 0.422701920418286E+02 0.381271544659145E-01
chi_2_1= 0.240000000000000E-01 -.147309485105351E-03 -.175476784632353E-07
chi_3_1= 0.240000000000000E-01 -.340251917553931E-03 -.774836457717899E-06
chi_1_2= 0.240000000000000E-01 -.146465549652703E-03 -.117808025914650E-07
chi_2_2= 0.240000000000000E-01 0.420837887561353E+02 0.377843278247933E-01
chi_3_2= 0.240000000000000E-01 -.183239146280500E-03 -.650456729675344E-06
chi_1_3= 0.240000000000000E-01 -.346498518306882E-03 -.824178656971574E-06
chi_2_3= 0.240000000000000E-01 -.189486037838017E-03 -.699625061716683E-06
chi_3_3= 0.240000000000000E-01 0.234034713615085E+02 0.133215559637345E-01
S(E)= 0.240000000000000E-01 0.227230066004843E-03
chi_1_1= 0.250000000000000E-01 0.422740799294754E+02 0.397278500657214E-01
chi_2_1= 0.250000000000000E-01 -.147311325211744E-03 -.181416136626028E-07
chi_3_1= 0.250000000000000E-01 -.340330893095600E-03 -.807467553258261E-06
chi_1_2= 0.250000000000000E-01 -.146466802777215E-03 -.121296001017463E-07
chi_2_2= 0.250000000000000E-01 0.420876416976591E+02 0.393705953456314E-01
chi_3_2= 0.250000000000000E-01 -.183305435036863E-03 -.677876099241217E-06
chi_1_3= 0.250000000000000E-01 -.346582513615729E-03 -.858914237045206E-06
chi_2_3= 0.250000000000000E-01 -.189557328731070E-03 -.729141339565417E-06
chi_3_3= 0.250000000000000E-01 0.234048301534854E+02 0.138797860875047E-01
S(E)= 0.250000000000000E-01 0.246632419049762E-03
chi_1_1= 0.260000000000000E-01 0.422781277577966E+02 0.413300300825856E-01
chi_2_1= 0.260000000000000E-01 -.147313226249037E-03 -.187185686010167E-07
chi_3_1= 0.260000000000000E-01 -.340413128026009E-03 -.840141281237932E-06
chi_1_2= 0.260000000000000E-01 -.146468092372238E-03 -.124608183481517E-07
chi_2_2= 0.260000000000000E-01 0.420916531385948E+02 0.409583295953420E-01
chi_3_2= 0.260000000000000E-01 -.183374462319462E-03 -.705334506839375E-06
chi_1_3= 0.260000000000000E-01 -.346669978220636E-03 -.893698454610599E-06
chi_2_3= 0.260000000000000E-01 -.189631567303882E-03 -.758702619295620E-06
chi_3_3= 0.260000000000000E-01 0.234062447348027E+02 0.144384054846762E-01
S(E)= 0.260000000000000E-01 0.266838741951901E-03
chi_1_1= 0.270000000000000E-01 0.422823356777134E+02 0.429337553340186E-01
chi_2_1= 0.270000000000000E-01 -.147315186497488E-03 -.192778282304153E-07
chi_3_1= 0.270000000000000E-01 -.340498626677588E-03 -.872859394238772E-06
chi_1_2= 0.270000000000000E-01 -.146469416657274E-03 -.127737173205056E-07
chi_2_2= 0.270000000000000E-01 0.420958232280662E+02 0.425475906637787E-01
chi_3_2= 0.270000000000000E-01 -.183446232095075E-03 -.732833558398217E-06
chi_1_3= 0.270000000000000E-01 -.346760917062478E-03 -.928533314335774E-06
chi_2_3= 0.270000000000000E-01 -.189708758127513E-03 -.788310757157299E-06
chi_3_3= 0.270000000000000E-01 0.234077151450513E+02 0.149974300650061E-01
S(E)= 0.270000000000000E-01 0.287850489951938E-03
chi_1_1= 0.280000000000000E-01 0.422867038462140E+02 0.445390868087844E-01
chi_2_1= 0.280000000000000E-01 -.147317204166224E-03 -.198186732236254E-07
chi_3_1= 0.280000000000000E-01 -.340587393557548E-03 -.905623650466199E-06
chi_1_2= 0.280000000000000E-01 -.146470773778207E-03 -.130675526099414E-07
chi_2_2= 0.280000000000000E-01 0.421001521211916E+02 0.441384388096533E-01
chi_3_2= 0.280000000000000E-01 -.183520748490624E-03 -.760374865128065E-06
chi_1_3= 0.280000000000000E-01 -.346855335281993E-03 -.963420827934580E-06
chi_2_3= 0.280000000000000E-01 -.189788905958073E-03 -.817967616090646E-06
chi_3_3= 0.280000000000000E-01 0.234092414254094E+02 0.155568757785249E-01
S(E)= 0.280000000000000E-01 0.309669177487626E-03
chi_1_1= 0.290000000000000E-01 0.422912324263709E+02 0.461460856738254E-01
chi_2_1= 0.290000000000000E-01 -.147319277392812E-03 -.203403797975801E-07
chi_3_1= 0.290000000000000E-01 -.340679433348447E-03 -.938435813977248E-06
chi_1_2= 0.290000000000000E-01 -.146472161806864E-03 -.133415752271844E-07
chi_2_2= 0.290000000000000E-01 0.421046399791010E+02 0.457309344673610E-01
chi_3_2= 0.290000000000000E-01 -.183598015793706E-03 -.787960043735448E-06
chi_1_3= 0.290000000000000E-01 -.346953238220488E-03 -.998363014454146E-06
chi_2_3= 0.290000000000000E-01 -.189872015737393E-03 -.847675065999154E-06
chi_3_3= 0.290000000000000E-01 0.234108236186469E+02 0.161167586171652E-01
S(E)= 0.290000000000000E-01 0.332296378442908E-03
chi_1_1= 0.300000000000000E-01 0.422959215873598E+02 0.477548132812250E-01
chi_2_1= 0.300000000000000E-01 -.147321404242808E-03 -.208422195351070E-07
chi_3_1= 0.300000000000000E-01 -.340774750908782E-03 -.971297654909989E-06
chi_1_2= 0.300000000000000E-01 -.146473578740551E-03 -.135950314193733E-07
chi_2_2= 0.300000000000000E-01 0.421092869689542E+02 0.473251382538489E-01
chi_3_2= 0.300000000000000E-01 -.183678038453150E-03 -.815590716638737E-06
chi_1_3= 0.300000000000000E-01 -.347054631420586E-03 -.103336190056426E-05
chi_2_3= 0.300000000000000E-01 -.189958092593737E-03 -.877434984024563E-06
chi_3_3= 0.300000000000000E-01 0.234124617691298E+02 0.166770946164005E-01
S(E)= 0.300000000000000E-01 0.355733726407125E-03
Input ​
# \hbar \omega(Ry) Oscillator strength
0.000000000000000E+00 -.000000000000000E+00
0.100000000000000E-02 0.395709015808538E-06
0.200000000000000E-02 0.158286446771955E-05
0.300000000000000E-02 0.356155157382555E-05
0.400000000000000E-02 0.633191237973641E-05
0.500000000000000E-02 0.989414578176762E-05
0.600000000000000E-02 0.142485075594131E-04
0.700000000000000E-02 0.193953104171121E-04
0.800000000000000E-02 0.253349240353224E-04
0.900000000000000E-02 0.320677751309138E-04
0.100000000000000E-01 0.395943475269005E-04
0.110000000000000E-01 0.479151822315313E-04
0.120000000000000E-01 0.570308775267618E-04
0.130000000000000E-01 0.669420890661326E-04
0.140000000000000E-01 0.776495299820832E-04
0.150000000000000E-01 0.891539710027328E-04
0.160000000000000E-01 0.101456240578159E-03
0.170000000000000E-01 0.114557225016216E-03
0.180000000000000E-01 0.128457868627926E-03
0.190000000000000E-01 0.143159173882492E-03
0.200000000000000E-01 0.158662201571973E-03
0.210000000000000E-01 0.174968070985665E-03
0.220000000000000E-01 0.192077960094254E-03
0.230000000000000E-01 0.209993105743777E-03
0.240000000000000E-01 0.228714803859457E-03
0.250000000000000E-01 0.248244409659470E-03
0.260000000000000E-01 0.268583337878708E-03
0.270000000000000E-01 0.289733063002600E-03
0.280000000000000E-01 0.311695119511057E-03
0.290000000000000E-01 0.334471102132627E-03
0.300000000000000E-01 0.358062666108915E-03
0.310000000000000E-01 0.382471527469356E-03
0.320000000000000E-01 0.407699463316431E-03
0.330000000000000E-01 0.433748312121384E-03
0.340000000000000E-01 0.460619974030562E-03
0.350000000000000E-01 0.488316411182433E-03
0.360000000000000E-01 0.516839648035408E-03
0.370000000000000E-01 0.546191771706533E-03
0.380000000000000E-01 0.576374932321196E-03
0.390000000000000E-01 0.607391343373889E-03
0.400000000000000E-01 0.639243282100199E-03
0.410000000000000E-01 0.671933089860102E-03
0.420000000000000E-01 0.705463172532671E-03
0.430000000000000E-01 0.739836000922337E-03
0.440000000000000E-01 0.775054111176831E-03
0.450000000000000E-01 0.811120105216880E-03
0.460000000000000E-01 0.848036651177868E-03
0.470000000000000E-01 0.885806483863521E-03
0.480000000000000E-01 0.924432405211799E-03
0.490000000000000E-01 0.963917284773133E-03
0.500000000000000E-01 0.100426406020111E-02
0.510000000000000E-01 0.104547573775583E-02
0.520000000000000E-01 0.108755539282002E-02
0.530000000000000E-01 0.113050617042810E-02
0.540000000000000E-01 0.117433128580836E-02
0.550000000000000E-01 0.121903402493838E-02
0.560000000000000E-01 0.126461774511397E-02
0.570000000000000E-01 0.131108587553164E-02
0.580000000000000E-01 0.135844191788492E-02
0.590000000000000E-01 0.140668944697468E-02
0.600000000000000E-01 0.145583211133363E-02
0.610000000000000E-01 0.150587363386513E-02
0.620000000000000E-01 0.155681781249665E-02
0.630000000000000E-01 0.160866852084802E-02
0.640000000000000E-01 0.166142970891456E-02
0.650000000000000E-01 0.171510540376561E-02
0.660000000000000E-01 0.176969971025829E-02
0.670000000000000E-01 0.182521681176707E-02
0.680000000000000E-01 0.188166097092913E-02
0.690000000000000E-01 0.193903653040596E-02
0.700000000000000E-01 0.199734791366122E-02
0.710000000000000E-01 0.205659962575534E-02
0.720000000000001E-01 0.211679625415691E-02
0.730000000000001E-01 0.217794246957129E-02
0.740000000000001E-01 0.224004302678660E-02
0.750000000000001E-01 0.230310276553744E-02
0.760000000000001E-01 0.236712661138657E-02
0.770000000000001E-01 0.243211957662486E-02
0.780000000000001E-01 0.249808676118982E-02
0.790000000000001E-01 0.256503335360301E-02
0.800000000000001E-01 0.263296463192662E-02
0.810000000000001E-01 0.270188596473953E-02
0.820000000000001E-01 0.277180281213330E-02
0.830000000000001E-01 0.284272072672823E-02
0.840000000000001E-01 0.291464535470996E-02
0.850000000000001E-01 0.298758243688695E-02
0.860000000000001E-01 0.306153780976919E-02
0.870000000000001E-01 0.313651740666841E-02
0.880000000000001E-01 0.321252725882046E-02
0.890000000000001E-01 0.328957349652981E-02
0.900000000000001E-01 0.336766235033694E-02
0.910000000000001E-01 0.344680015220889E-02
0.920000000000001E-01 0.352699333675328E-02
0.930000000000001E-01 0.360824844245647E-02
0.940000000000001E-01 0.369057211294596E-02
0.950000000000001E-01 0.377397109827790E-02
0.960000000000001E-01 0.385845225624970E-02
0.970000000000001E-01 0.394402255373860E-02
0.980000000000001E-01 0.403068906806640E-02
0.990000000000001E-01 0.411845898839108E-02
0.100000000000000E+00 0.420733961712555E-02
0.101000000000000E+00 0.429733837138422E-02
0.102000000000000E+00 0.438846278445800E-02
0.103000000000000E+00 0.448072050731786E-02
0.104000000000000E+00 0.457411931014810E-02
0.105000000000000E+00 0.466866708390931E-02
0.106000000000000E+00 0.476437184193200E-02
0.107000000000000E+00 0.486124172154141E-02
0.108000000000000E+00 0.495928498571375E-02
0.109000000000000E+00 0.505851002476523E-02
0.110000000000000E+00 0.515892535807361E-02
0.111000000000000E+00 0.526053963583376E-02
0.112000000000000E+00 0.536336164084731E-02
0.113000000000000E+00 0.546740029034728E-02
0.114000000000000E+00 0.557266463785851E-02
0.115000000000000E+00 0.567916387509430E-02
0.116000000000000E+00 0.578690733389040E-02
0.117000000000000E+00 0.589590448817668E-02
0.118000000000000E+00 0.600616495598746E-02
0.119000000000000E+00 0.611769850151154E-02
0.120000000000000E+00 0.623051503718196E-02
0.121000000000000E+00 0.634462462580742E-02
0.122000000000000E+00 0.646003748274507E-02
0.123000000000000E+00 0.657676397811647E-02
0.124000000000000E+00 0.669481463906711E-02
0.125000000000000E+00 0.681420015207026E-02
0.126000000000000E+00 0.693493136527685E-02
0.127000000000000E+00 0.705701929091132E-02
0.128000000000000E+00 0.718047510771521E-02
0.129000000000000E+00 0.730531016343913E-02
0.130000000000000E+00 0.743153597738413E-02
0.131000000000000E+00 0.755916424299390E-02
0.132000000000000E+00 0.768820683049814E-02
0.133000000000000E+00 0.781867578960922E-02
0.134000000000000E+00 0.795058335227220E-02
0.135000000000000E+00 0.808394193547029E-02
0.136000000000000E+00 0.821876414408621E-02
0.137000000000000E+00 0.835506277382136E-02
0.138000000000000E+00 0.849285081417346E-02
0.139000000000000E+00 0.863214145147428E-02
0.140000000000000E+00 0.877294807198877E-02
0.141000000000000E+00 0.891528426507676E-02
0.142000000000000E+00 0.905916382641892E-02
0.143000000000000E+00 0.920460076130800E-02
0.144000000000000E+00 0.935160928800726E-02
0.145000000000000E+00 0.950020384117729E-02
0.146000000000000E+00 0.965039907537278E-02
0.147000000000000E+00 0.980220986861115E-02
0.148000000000000E+00 0.995565132601403E-02
0.149000000000000E+00 0.101107387835238E-01
0.150000000000000E+00 0.102674878116971E-01
0.151000000000000E+00 0.104259142195757E-01
0.152000000000000E+00 0.105860340586390E-01
0.153000000000000E+00 0.107478636268368E-01
0.154000000000000E+00 0.109114194727076E-01
0.155000000000000E+00 0.110767183995816E-01
0.156000000000000E+00 0.112437774698719E-01
0.157000000000000E+00 0.114126140094558E-01
0.158000000000000E+00 0.115832456121480E-01
0.159000000000000E+00 0.117556901442675E-01
0.160000000000000E+00 0.119299657493017E-01
0.161000000000000E+00 0.121060908526685E-01
0.162000000000000E+00 0.122840841665797E-01
0.163000000000000E+00 0.124639646950076E-01
0.164000000000000E+00 0.126457517387579E-01
0.165000000000000E+00 0.128294649006508E-01
0.166000000000000E+00 0.130151240908126E-01
0.167000000000000E+00 0.132027495320821E-01
0.168000000000000E+00 0.133923617655328E-01
0.169000000000000E+00 0.135839816561142E-01
0.170000000000000E+00 0.137776303984160E-01
0.171000000000000E+00 0.139733295225569E-01
0.172000000000000E+00 0.141711009002020E-01
0.173000000000000E+00 0.143709667507117E-01
0.174000000000000E+00 0.145729496474251E-01
0.175000000000000E+00 0.147770725240814E-01
0.176000000000000E+00 0.149833586813828E-01
0.177000000000000E+00 0.151918317937031E-01
0.178000000000000E+00 0.154025159159434E-01
0.179000000000000E+00 0.156154354905421E-01
0.180000000000000E+00 0.158306153546393E-01
0.181000000000000E+00 0.160480807474026E-01
0.182000000000000E+00 0.162678573175167E-01
0.183000000000000E+00 0.164899711308418E-01
0.184000000000000E+00 0.167144486782437E-01
0.185000000000000E+00 0.169413168836024E-01
0.186000000000000E+00 0.171706031120016E-01
0.187000000000000E+00 0.174023351781049E-01
0.188000000000000E+00 0.176365413547232E-01
0.189000000000000E+00 0.178732503815782E-01
0.190000000000000E+00 0.181124914742678E-01
0.191000000000000E+00 0.183542943334371E-01
0.192000000000000E+00 0.185986891541627E-01
0.193000000000000E+00 0.188457066355537E-01
0.194000000000000E+00 0.190953779905764E-01
0.195000000000000E+00 0.193477349561086E-01
0.196000000000000E+00 0.196028098032289E-01
0.197000000000000E+00 0.198606353477483E-01
0.198000000000000E+00 0.201212449609895E-01
0.199000000000000E+00 0.203846725808211E-01
0.200000000000000E+00 0.206509527229546E-01
0.201000000000000E+00 0.209201204925089E-01
0.202000000000000E+00 0.211922115958519E-01
0.203000000000000E+00 0.214672623527257E-01
0.204000000000000E+00 0.217453097086634E-01
0.205000000000000E+00 0.220263912477051E-01
0.206000000000000E+00 0.223105452054224E-01
0.207000000000000E+00 0.225978104822584E-01
0.208000000000000E+00 0.228882266571940E-01
0.209000000000000E+00 0.231818340017469E-01
0.210000000000000E+00 0.234786734943162E-01
0.211000000000000E+00 0.237787868348778E-01
0.212000000000000E+00 0.240822164600456E-01
0.213000000000000E+00 0.243890055585038E-01
0.214000000000000E+00 0.246991980868252E-01
0.215000000000000E+00 0.250128387856834E-01
0.216000000000000E+00 0.253299731964720E-01
0.217000000000000E+00 0.256506476783411E-01
0.218000000000000E+00 0.259749094256650E-01
0.219000000000000E+00 0.263028064859515E-01
0.220000000000000E+00 0.266343877782068E-01
0.221000000000000E+00 0.269697031117693E-01
0.222000000000000E+00 0.273088032056261E-01
0.223000000000000E+00 0.276517397082247E-01
0.224000000000000E+00 0.279985652177979E-01
0.225000000000000E+00 0.283493333032136E-01
0.226000000000000E+00 0.287040985253666E-01
0.227000000000000E+00 0.290629164591296E-01
0.228000000000000E+00 0.294258437158780E-01
0.229000000000000E+00 0.297929379666075E-01
0.230000000000000E+00 0.301642579656609E-01
0.231000000000000E+00 0.305398635750852E-01
0.232000000000000E+00 0.309198157896339E-01
0.233000000000000E+00 0.313041767624378E-01
0.234000000000000E+00 0.316930098313650E-01
0.235000000000000E+00 0.320863795460871E-01
0.236000000000000E+00 0.324843516958785E-01
0.237000000000000E+00 0.328869933381685E-01
0.238000000000000E+00 0.332943728278706E-01
0.239000000000000E+00 0.337065598475123E-01
0.384999999999969E+01 0.186597166347376E+01
Input ​
# \hbar \omega(eV) Oscillator strength
0.000000000000000E+00 -.000000000000000E+00
0.136058000000000E-01 0.395709015808538E-06
0.272116000000000E-01 0.158286446771955E-05
0.408174000000000E-01 0.356155157382555E-05
0.544232000000000E-01 0.633191237973641E-05
0.680290000000000E-01 0.989414578176762E-05
0.816348000000000E-01 0.142485075594131E-04
0.952406000000000E-01 0.193953104171121E-04
0.108846400000000E+00 0.253349240353224E-04
0.122452200000000E+00 0.320677751309138E-04
0.136058000000000E+00 0.395943475269005E-04
0.149663800000000E+00 0.479151822315313E-04
0.163269600000000E+00 0.570308775267618E-04
0.176875400000000E+00 0.669420890661326E-04
0.190481200000000E+00 0.776495299820832E-04
0.204087000000000E+00 0.891539710027328E-04
0.217692800000000E+00 0.101456240578159E-03
0.231298600000000E+00 0.114557225016216E-03
0.244904400000000E+00 0.128457868627926E-03
0.258510200000000E+00 0.143159173882492E-03
0.272116000000000E+00 0.158662201571973E-03
0.285721800000000E+00 0.174968070985665E-03
0.299327600000000E+00 0.192077960094254E-03
0.312933400000000E+00 0.209993105743777E-03
0.326539200000000E+00 0.228714803859457E-03
0.340145000000000E+00 0.248244409659470E-03
0.353750800000000E+00 0.268583337878708E-03
0.367356600000000E+00 0.289733063002600E-03
0.380962400000000E+00 0.311695119511057E-03
0.394568200000000E+00 0.334471102132627E-03
0.408174000000000E+00 0.358062666108915E-03
0.421779800000000E+00 0.382471527469356E-03
0.435385600000000E+00 0.407699463316431E-03
0.448991400000000E+00 0.433748312121384E-03
0.462597200000000E+00 0.460619974030562E-03
0.476203000000000E+00 0.488316411182433E-03
0.489808800000000E+00 0.516839648035408E-03
0.503414600000000E+00 0.546191771706533E-03
0.517020400000000E+00 0.576374932321196E-03
0.530626200000000E+00 0.607391343373889E-03
0.544232000000000E+00 0.639243282100199E-03
0.557837800000000E+00 0.671933089860102E-03
0.571443600000000E+00 0.705463172532671E-03
0.585049400000000E+00 0.739836000922337E-03
0.598655200000000E+00 0.775054111176831E-03
0.612261000000000E+00 0.811120105216880E-03
0.625866800000000E+00 0.848036651177868E-03
0.639472600000000E+00 0.885806483863521E-03
0.653078400000000E+00 0.924432405211799E-03
0.666684200000000E+00 0.963917284773133E-03
0.680290000000000E+00 0.100426406020111E-02
0.693895800000000E+00 0.104547573775583E-02
0.707501600000000E+00 0.108755539282002E-02
0.721107400000000E+00 0.113050617042810E-02
0.734713200000000E+00 0.117433128580836E-02
0.748319000000000E+00 0.121903402493838E-02
0.761924800000000E+00 0.126461774511397E-02
0.775530600000000E+00 0.131108587553164E-02
0.789136400000000E+00 0.135844191788492E-02
0.802742200000000E+00 0.140668944697468E-02
0.816348000000000E+00 0.145583211133363E-02
0.829953800000000E+00 0.150587363386513E-02
0.843559600000000E+00 0.155681781249665E-02
0.857165400000000E+00 0.160866852084802E-02
0.870771200000000E+00 0.166142970891456E-02
0.884377000000000E+00 0.171510540376561E-02
0.897982800000000E+00 0.176969971025829E-02
0.911588600000000E+00 0.182521681176707E-02
0.925194400000000E+00 0.188166097092913E-02
0.938800200000000E+00 0.193903653040596E-02
0.952406000000000E+00 0.199734791366122E-02
0.966011800000000E+00 0.205659962575534E-02
0.979617600000000E+00 0.211679625415691E-02
0.993223400000000E+00 0.217794246957129E-02
0.100682920000000E+01 0.224004302678660E-02
0.102043500000000E+01 0.230310276553744E-02
0.103404080000000E+01 0.236712661138657E-02
0.104764660000000E+01 0.243211957662486E-02
0.106125240000000E+01 0.249808676118982E-02
0.107485820000000E+01 0.256503335360301E-02
0.108846400000000E+01 0.263296463192662E-02
0.110206980000000E+01 0.270188596473953E-02
0.111567560000000E+01 0.277180281213330E-02
0.112928140000000E+01 0.284272072672823E-02
0.114288720000000E+01 0.291464535470996E-02
0.115649300000000E+01 0.298758243688695E-02
0.117009880000000E+01 0.306153780976919E-02
0.118370460000000E+01 0.313651740666841E-02
0.119731040000000E+01 0.321252725882046E-02
0.121091620000000E+01 0.328957349652981E-02
0.122452200000000E+01 0.336766235033694E-02
0.123812780000000E+01 0.344680015220889E-02
0.125173360000000E+01 0.352699333675328E-02
0.126533940000000E+01 0.360824844245647E-02
0.127894520000000E+01 0.369057211294596E-02
0.129255100000000E+01 0.377397109827790E-02
0.130615680000000E+01 0.385845225624970E-02
0.131976260000000E+01 0.394402255373860E-02
0.133336840000000E+01 0.403068906806640E-02
0.134697420000000E+01 0.411845898839108E-02
0.136058000000000E+01 0.420733961712555E-02
0.137418580000000E+01 0.429733837138422E-02
0.138779160000000E+01 0.438846278445800E-02
0.140139740000000E+01 0.448072050731786E-02
0.141500320000000E+01 0.457411931014810E-02
0.142860900000000E+01 0.466866708390931E-02
0.144221480000000E+01 0.476437184193200E-02
0.145582060000000E+01 0.486124172154141E-02
0.146942640000000E+01 0.495928498571375E-02
0.148303220000000E+01 0.505851002476523E-02
0.149663800000000E+01 0.515892535807361E-02
0.151024380000000E+01 0.526053963583376E-02
0.152384960000000E+01 0.536336164084731E-02
0.153745540000000E+01 0.546740029034728E-02
0.155106120000000E+01 0.557266463785851E-02
0.156466700000000E+01 0.567916387509430E-02
0.157827280000000E+01 0.578690733389040E-02
0.159187860000000E+01 0.589590448817668E-02
0.160548440000000E+01 0.600616495598746E-02
0.161909020000000E+01 0.611769850151154E-02
0.163269600000000E+01 0.623051503718196E-02
0.164630180000000E+01 0.634462462580742E-02
0.165990760000000E+01 0.646003748274507E-02
0.167351340000000E+01 0.657676397811647E-02
0.168711920000000E+01 0.669481463906711E-02
0.170072500000000E+01 0.681420015207026E-02
0.171433080000000E+01 0.693493136527685E-02
0.172793660000000E+01 0.705701929091132E-02
0.174154240000000E+01 0.718047510771521E-02
Input ​
#Chi is reported as CHI_(i)_(j) \hbar \omega (eV) Re(chi) (e^2*a_0^2/eV) Im(chi) (e^2*a_0^2/eV)
# S(E) satisfies the sum rule
chi_1_1= 0.000000000000000E+00 0.449907532739966E+01 -.000000000000000E+00
chi_2_1= 0.000000000000000E+00 0.416879724572489E-04 -.000000000000000E+00
chi_3_1= 0.000000000000000E+00 0.244319684587956E-02 -.000000000000000E+00
chi_1_2= 0.000000000000000E+00 0.445035481708629E-04 -.000000000000000E+00
chi_2_2= 0.000000000000000E+00 0.373768549152446E+01 -.000000000000000E+00
chi_3_2= 0.000000000000000E+00 0.141605748248321E-04 -.000000000000000E+00
chi_1_3= 0.000000000000000E+00 0.245131920022586E-02 -.000000000000000E+00
chi_2_3= 0.000000000000000E+00 0.127109211177139E-04 -.000000000000000E+00
chi_3_3= 0.000000000000000E+00 0.195866981582341E+01 -.000000000000000E+00
S(E)= 0.000000000000000E+00 -.000000000000000E+00
chi_1_1= 0.100000000000000E-02 0.449907539562128E+01 0.374402336359558E-04
chi_2_1= 0.100000000000000E-02 0.416879736798900E-04 0.670812745015222E-09
chi_3_1= 0.100000000000000E-02 0.244319687908871E-02 0.181814451281232E-07
chi_1_2= 0.100000000000000E-02 0.445035498051745E-04 0.901625820412425E-09
chi_2_2= 0.100000000000000E-02 0.373768554454543E+01 0.292315713359546E-04
chi_3_2= 0.100000000000000E-02 0.141605756708778E-04 0.467158980183521E-09
chi_1_3= 0.100000000000000E-02 0.245131923499681E-02 0.190577701330676E-07
chi_2_3= 0.100000000000000E-02 0.127109217456402E-04 0.344518841004582E-09
chi_3_3= 0.100000000000000E-02 0.195866982606608E+01 0.559139092518549E-05
S(E)= 0.100000000000000E-02 0.766736322042719E-08
chi_1_1= 0.200000000000000E-02 0.449907560028617E+01 0.748804798517771E-04
chi_2_1= 0.200000000000000E-02 0.416879773478137E-04 0.134162570879137E-08
chi_3_1= 0.200000000000000E-02 0.244319697871617E-02 0.363628946254022E-07
chi_1_2= 0.200000000000000E-02 0.445035547081104E-04 0.180325213036184E-08
chi_2_2= 0.200000000000000E-02 0.373768570360838E+01 0.584631577451473E-04
chi_3_2= 0.200000000000000E-02 0.141605782090155E-04 0.934318229755088E-09
chi_1_3= 0.200000000000000E-02 0.245131933930969E-02 0.381155456907592E-07
chi_2_3= 0.200000000000000E-02 0.127109236294193E-04 0.689037794358433E-09
chi_3_3= 0.200000000000000E-02 0.195866985679408E+01 0.111827825394427E-04
S(E)= 0.200000000000000E-02 0.306694588961051E-07
chi_1_1= 0.300000000000000E-02 0.449907594139441E+01 0.112320751227343E-03
chi_2_1= 0.300000000000000E-02 0.416879834610213E-04 0.201243911008953E-08
chi_3_1= 0.300000000000000E-02 0.244319714476198E-02 0.545443528609957E-07
chi_1_2= 0.300000000000000E-02 0.445035628796731E-04 0.270487941938608E-08
chi_2_2= 0.300000000000000E-02 0.373768596871339E+01 0.876947743008493E-04
chi_3_2= 0.300000000000000E-02 0.141605824392467E-04 0.140147801810329E-08
chi_1_3= 0.300000000000000E-02 0.245131951316452E-02 0.571733320977031E-07
chi_2_3= 0.300000000000000E-02 0.127109267690519E-04 0.103355697241091E-08
chi_3_3= 0.300000000000000E-02 0.195866990800742E+01 0.167741755318436E-04
S(E)= 0.300000000000000E-02 0.690063050702381E-07
chi_1_1= 0.400000000000000E-02 0.449907641894608E+01 0.149761060342560E-03
chi_2_1= 0.400000000000000E-02 0.416879920195145E-04 0.268325316767105E-08
chi_3_1= 0.400000000000000E-02 0.244319737722616E-02 0.727258242040658E-07
chi_1_2= 0.400000000000000E-02 0.445035743198668E-04 0.360650817702466E-08
chi_2_2= 0.400000000000000E-02 0.373768633986059E+01 0.116926436076394E-03
chi_3_2= 0.400000000000000E-02 0.141605883615736E-04 0.186863861461780E-08
chi_1_3= 0.400000000000000E-02 0.245131975656136E-02 0.762311347785369E-07
chi_2_3= 0.400000000000000E-02 0.127109311645388E-04 0.137807648751156E-08
chi_3_3= 0.400000000000000E-02 0.195866997970611E+01 0.223655705914611E-04
S(E)= 0.400000000000000E-02 0.122677931814881E-06
Output text ​
xml
<comment class="example.output" id="qespresso.absorptionspec">
<module id="qespresso.absorptionspec">
<array dataType="xsd:double" dictRef="q:hbaromega" size="31" units="nonsi2:rydberg">0.000000000000000E+00 0.100000000000000E-02 0.200000000000000E-02 0.300000000000000E-02 0.400000000000000E-02 0.500000000000000E-02 0.600000000000000E-02 0.700000000000000E-02 0.800000000000000E-02 0.900000000000000E-02 0.100000000000000E-01 0.110000000000000E-01 0.120000000000000E-01 0.130000000000000E-01 0.140000000000000E-01 0.150000000000000E-01 0.160000000000000E-01 0.170000000000000E-01 0.180000000000000E-01 0.190000000000000E-01 0.200000000000000E-01 0.210000000000000E-01 0.220000000000000E-01 0.230000000000000E-01 0.240000000000000E-01 0.250000000000000E-01 0.260000000000000E-01 0.270000000000000E-01 0.280000000000000E-01 0.290000000000000E-01 0.300000000000000E-01</array>
<array dataType="xsd:double" dictRef="cc:oscillator" size="31">-.000000000000000E+00 0.393149033963964E-06 0.157262417293422E-05 0.353850953269154E-05 0.629094532135745E-05 0.983012786212910E-05 0.141563096251174E-04 0.192697992682969E-04 0.251709616875803E-04 0.318602180760309E-04 0.393380459922301E-04 0.476049794378205E-04 0.566616089442455E-04 0.665085816687115E-04 0.771466014993996E-04 0.885764291699574E-04 0.100798882383304E-03 0.113814835944781E-03 0.127625221904695E-03 0.142231029710287E-03 0.157633306367168E-03 0.173833156610280E-03 0.190831743084423E-03 0.208630286534400E-03 0.227230066004843E-03 0.246632419049762E-03 0.266838741951901E-03 0.287850489951938E-03 0.309669177487626E-03 0.332296378442908E-03 0.355733726407125E-03</array>
</module>
</comment>Output text ​
xml
<comment class="example.output" id="qespresso.absorptionspec2">
<module id="qespresso.absorptionspec">
<array dataType="xsd:double" dictRef="q:hbaromega" size="241" units="nonsi2:rydberg">0.000000000000000E+00 0.100000000000000E-02 0.200000000000000E-02 0.300000000000000E-02 0.400000000000000E-02 0.500000000000000E-02 0.600000000000000E-02 0.700000000000000E-02 0.800000000000000E-02 0.900000000000000E-02 0.100000000000000E-01 0.110000000000000E-01 0.120000000000000E-01 0.130000000000000E-01 0.140000000000000E-01 0.150000000000000E-01 0.160000000000000E-01 0.170000000000000E-01 0.180000000000000E-01 0.190000000000000E-01 0.200000000000000E-01 0.210000000000000E-01 0.220000000000000E-01 0.230000000000000E-01 0.240000000000000E-01 0.250000000000000E-01 0.260000000000000E-01 0.270000000000000E-01 0.280000000000000E-01 0.290000000000000E-01 0.300000000000000E-01 0.310000000000000E-01 0.320000000000000E-01 0.330000000000000E-01 0.340000000000000E-01 0.350000000000000E-01 0.360000000000000E-01 0.370000000000000E-01 0.380000000000000E-01 0.390000000000000E-01 0.400000000000000E-01 0.410000000000000E-01 0.420000000000000E-01 0.430000000000000E-01 0.440000000000000E-01 0.450000000000000E-01 0.460000000000000E-01 0.470000000000000E-01 0.480000000000000E-01 0.490000000000000E-01 0.500000000000000E-01 0.510000000000000E-01 0.520000000000000E-01 0.530000000000000E-01 0.540000000000000E-01 0.550000000000000E-01 0.560000000000000E-01 0.570000000000000E-01 0.580000000000000E-01 0.590000000000000E-01 0.600000000000000E-01 0.610000000000000E-01 0.620000000000000E-01 0.630000000000000E-01 0.640000000000000E-01 0.650000000000000E-01 0.660000000000000E-01 0.670000000000000E-01 0.680000000000000E-01 0.690000000000000E-01 0.700000000000000E-01 0.710000000000000E-01 0.720000000000001E-01 0.730000000000001E-01 0.740000000000001E-01 0.750000000000001E-01 0.760000000000001E-01 0.770000000000001E-01 0.780000000000001E-01 0.790000000000001E-01 0.800000000000001E-01 0.810000000000001E-01 0.820000000000001E-01 0.830000000000001E-01 0.840000000000001E-01 0.850000000000001E-01 0.860000000000001E-01 0.870000000000001E-01 0.880000000000001E-01 0.890000000000001E-01 0.900000000000001E-01 0.910000000000001E-01 0.920000000000001E-01 0.930000000000001E-01 0.940000000000001E-01 0.950000000000001E-01 0.960000000000001E-01 0.970000000000001E-01 0.980000000000001E-01 0.990000000000001E-01 0.100000000000000E+00 0.101000000000000E+00 0.102000000000000E+00 0.103000000000000E+00 0.104000000000000E+00 0.105000000000000E+00 0.106000000000000E+00 0.107000000000000E+00 0.108000000000000E+00 0.109000000000000E+00 0.110000000000000E+00 0.111000000000000E+00 0.112000000000000E+00 0.113000000000000E+00 0.114000000000000E+00 0.115000000000000E+00 0.116000000000000E+00 0.117000000000000E+00 0.118000000000000E+00 0.119000000000000E+00 0.120000000000000E+00 0.121000000000000E+00 0.122000000000000E+00 0.123000000000000E+00 0.124000000000000E+00 0.125000000000000E+00 0.126000000000000E+00 0.127000000000000E+00 0.128000000000000E+00 0.129000000000000E+00 0.130000000000000E+00 0.131000000000000E+00 0.132000000000000E+00 0.133000000000000E+00 0.134000000000000E+00 0.135000000000000E+00 0.136000000000000E+00 0.137000000000000E+00 0.138000000000000E+00 0.139000000000000E+00 0.140000000000000E+00 0.141000000000000E+00 0.142000000000000E+00 0.143000000000000E+00 0.144000000000000E+00 0.145000000000000E+00 0.146000000000000E+00 0.147000000000000E+00 0.148000000000000E+00 0.149000000000000E+00 0.150000000000000E+00 0.151000000000000E+00 0.152000000000000E+00 0.153000000000000E+00 0.154000000000000E+00 0.155000000000000E+00 0.156000000000000E+00 0.157000000000000E+00 0.158000000000000E+00 0.159000000000000E+00 0.160000000000000E+00 0.161000000000000E+00 0.162000000000000E+00 0.163000000000000E+00 0.164000000000000E+00 0.165000000000000E+00 0.166000000000000E+00 0.167000000000000E+00 0.168000000000000E+00 0.169000000000000E+00 0.170000000000000E+00 0.171000000000000E+00 0.172000000000000E+00 0.173000000000000E+00 0.174000000000000E+00 0.175000000000000E+00 0.176000000000000E+00 0.177000000000000E+00 0.178000000000000E+00 0.179000000000000E+00 0.180000000000000E+00 0.181000000000000E+00 0.182000000000000E+00 0.183000000000000E+00 0.184000000000000E+00 0.185000000000000E+00 0.186000000000000E+00 0.187000000000000E+00 0.188000000000000E+00 0.189000000000000E+00 0.190000000000000E+00 0.191000000000000E+00 0.192000000000000E+00 0.193000000000000E+00 0.194000000000000E+00 0.195000000000000E+00 0.196000000000000E+00 0.197000000000000E+00 0.198000000000000E+00 0.199000000000000E+00 0.200000000000000E+00 0.201000000000000E+00 0.202000000000000E+00 0.203000000000000E+00 0.204000000000000E+00 0.205000000000000E+00 0.206000000000000E+00 0.207000000000000E+00 0.208000000000000E+00 0.209000000000000E+00 0.210000000000000E+00 0.211000000000000E+00 0.212000000000000E+00 0.213000000000000E+00 0.214000000000000E+00 0.215000000000000E+00 0.216000000000000E+00 0.217000000000000E+00 0.218000000000000E+00 0.219000000000000E+00 0.220000000000000E+00 0.221000000000000E+00 0.222000000000000E+00 0.223000000000000E+00 0.224000000000000E+00 0.225000000000000E+00 0.226000000000000E+00 0.227000000000000E+00 0.228000000000000E+00 0.229000000000000E+00 0.230000000000000E+00 0.231000000000000E+00 0.232000000000000E+00 0.233000000000000E+00 0.234000000000000E+00 0.235000000000000E+00 0.236000000000000E+00 0.237000000000000E+00 0.238000000000000E+00 0.239000000000000E+00 0.384999999999969E+01</array>
<array dataType="xsd:double" dictRef="cc:oscillator" size="241">-.000000000000000E+00 0.395709015808538E-06 0.158286446771955E-05 0.356155157382555E-05 0.633191237973641E-05 0.989414578176762E-05 0.142485075594131E-04 0.193953104171121E-04 0.253349240353224E-04 0.320677751309138E-04 0.395943475269005E-04 0.479151822315313E-04 0.570308775267618E-04 0.669420890661326E-04 0.776495299820832E-04 0.891539710027328E-04 0.101456240578159E-03 0.114557225016216E-03 0.128457868627926E-03 0.143159173882492E-03 0.158662201571973E-03 0.174968070985665E-03 0.192077960094254E-03 0.209993105743777E-03 0.228714803859457E-03 0.248244409659470E-03 0.268583337878708E-03 0.289733063002600E-03 0.311695119511057E-03 0.334471102132627E-03 0.358062666108915E-03 0.382471527469356E-03 0.407699463316431E-03 0.433748312121384E-03 0.460619974030562E-03 0.488316411182433E-03 0.516839648035408E-03 0.546191771706533E-03 0.576374932321196E-03 0.607391343373889E-03 0.639243282100199E-03 0.671933089860102E-03 0.705463172532671E-03 0.739836000922337E-03 0.775054111176831E-03 0.811120105216880E-03 0.848036651177868E-03 0.885806483863521E-03 0.924432405211799E-03 0.963917284773133E-03 0.100426406020111E-02 0.104547573775583E-02 0.108755539282002E-02 0.113050617042810E-02 0.117433128580836E-02 0.121903402493838E-02 0.126461774511397E-02 0.131108587553164E-02 0.135844191788492E-02 0.140668944697468E-02 0.145583211133363E-02 0.150587363386513E-02 0.155681781249665E-02 0.160866852084802E-02 0.166142970891456E-02 0.171510540376561E-02 0.176969971025829E-02 0.182521681176707E-02 0.188166097092913E-02 0.193903653040596E-02 0.199734791366122E-02 0.205659962575534E-02 0.211679625415691E-02 0.217794246957129E-02 0.224004302678660E-02 0.230310276553744E-02 0.236712661138657E-02 0.243211957662486E-02 0.249808676118982E-02 0.256503335360301E-02 0.263296463192662E-02 0.270188596473953E-02 0.277180281213330E-02 0.284272072672823E-02 0.291464535470996E-02 0.298758243688695E-02 0.306153780976919E-02 0.313651740666841E-02 0.321252725882046E-02 0.328957349652981E-02 0.336766235033694E-02 0.344680015220889E-02 0.352699333675328E-02 0.360824844245647E-02 0.369057211294596E-02 0.377397109827790E-02 0.385845225624970E-02 0.394402255373860E-02 0.403068906806640E-02 0.411845898839108E-02 0.420733961712555E-02 0.429733837138422E-02 0.438846278445800E-02 0.448072050731786E-02 0.457411931014810E-02 0.466866708390931E-02 0.476437184193200E-02 0.486124172154141E-02 0.495928498571375E-02 0.505851002476523E-02 0.515892535807361E-02 0.526053963583376E-02 0.536336164084731E-02 0.546740029034728E-02 0.557266463785851E-02 0.567916387509430E-02 0.578690733389040E-02 0.589590448817668E-02 0.600616495598746E-02 0.611769850151154E-02 0.623051503718196E-02 0.634462462580742E-02 0.646003748274507E-02 0.657676397811647E-02 0.669481463906711E-02 0.681420015207026E-02 0.693493136527685E-02 0.705701929091132E-02 0.718047510771521E-02 0.730531016343913E-02 0.743153597738413E-02 0.755916424299390E-02 0.768820683049814E-02 0.781867578960922E-02 0.795058335227220E-02 0.808394193547029E-02 0.821876414408621E-02 0.835506277382136E-02 0.849285081417346E-02 0.863214145147428E-02 0.877294807198877E-02 0.891528426507676E-02 0.905916382641892E-02 0.920460076130800E-02 0.935160928800726E-02 0.950020384117729E-02 0.965039907537278E-02 0.980220986861115E-02 0.995565132601403E-02 0.101107387835238E-01 0.102674878116971E-01 0.104259142195757E-01 0.105860340586390E-01 0.107478636268368E-01 0.109114194727076E-01 0.110767183995816E-01 0.112437774698719E-01 0.114126140094558E-01 0.115832456121480E-01 0.117556901442675E-01 0.119299657493017E-01 0.121060908526685E-01 0.122840841665797E-01 0.124639646950076E-01 0.126457517387579E-01 0.128294649006508E-01 0.130151240908126E-01 0.132027495320821E-01 0.133923617655328E-01 0.135839816561142E-01 0.137776303984160E-01 0.139733295225569E-01 0.141711009002020E-01 0.143709667507117E-01 0.145729496474251E-01 0.147770725240814E-01 0.149833586813828E-01 0.151918317937031E-01 0.154025159159434E-01 0.156154354905421E-01 0.158306153546393E-01 0.160480807474026E-01 0.162678573175167E-01 0.164899711308418E-01 0.167144486782437E-01 0.169413168836024E-01 0.171706031120016E-01 0.174023351781049E-01 0.176365413547232E-01 0.178732503815782E-01 0.181124914742678E-01 0.183542943334371E-01 0.185986891541627E-01 0.188457066355537E-01 0.190953779905764E-01 0.193477349561086E-01 0.196028098032289E-01 0.198606353477483E-01 0.201212449609895E-01 0.203846725808211E-01 0.206509527229546E-01 0.209201204925089E-01 0.211922115958519E-01 0.214672623527257E-01 0.217453097086634E-01 0.220263912477051E-01 0.223105452054224E-01 0.225978104822584E-01 0.228882266571940E-01 0.231818340017469E-01 0.234786734943162E-01 0.237787868348778E-01 0.240822164600456E-01 0.243890055585038E-01 0.246991980868252E-01 0.250128387856834E-01 0.253299731964720E-01 0.256506476783411E-01 0.259749094256650E-01 0.263028064859515E-01 0.266343877782068E-01 0.269697031117693E-01 0.273088032056261E-01 0.276517397082247E-01 0.279985652177979E-01 0.283493333032136E-01 0.287040985253666E-01 0.290629164591296E-01 0.294258437158780E-01 0.297929379666075E-01 0.301642579656609E-01 0.305398635750852E-01 0.309198157896339E-01 0.313041767624378E-01 0.316930098313650E-01 0.320863795460871E-01 0.324843516958785E-01 0.328869933381685E-01 0.332943728278706E-01 0.337065598475123E-01 0.186597166347376E+01</array>
</module>
</comment>Output text ​
xml
<comment class="example.output" id="qespresso.absorptionspec3">
<module id="qespresso.absorptionspec">
<array dataType="xsd:double" dictRef="q:hbaromega" size="129" units="nonsi2:rydberg">0 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008 0.009 0.01 0.011 0.012 0.013 0.014 0.015 0.016 0.017 0.018 0.019 0.02 0.021 0.022 0.023 0.024 0.025 0.026 0.027 0.028 0.029 0.03 0.031 0.032 0.033 0.034 0.035 0.036 0.037 0.038 0.039 0.04 0.041 0.042 0.043 0.044 0.045 0.046 0.047 0.048 0.049 0.05 0.051 0.052 0.053 0.054 0.055 0.056 0.057 0.058 0.059 0.06 0.061 0.062 0.063 0.064 0.065 0.066 0.067 0.068 0.069 0.07 0.071 0.072 0.073 0.074 0.075 0.076 0.077 0.078 0.079 0.08 0.081 0.082 0.083 0.084 0.085 0.086 0.087 0.088 0.089 0.09 0.091 0.092 0.093 0.094 0.095 0.096 0.097 0.098 0.099 0.1 0.101 0.102 0.103 0.104 0.105 0.106 0.107 0.108 0.109 0.11 0.111 0.112 0.113 0.114 0.115 0.116 0.117 0.118 0.119 0.12 0.121 0.122 0.123 0.124 0.125 0.126 0.127 0.128</array>
<array dataType="xsd:double" dictRef="cc:oscillator" size="129">-.000000000000000E+00 0.395709015808538E-06 0.158286446771955E-05 0.356155157382555E-05 0.633191237973641E-05 0.989414578176762E-05 0.142485075594131E-04 0.193953104171121E-04 0.253349240353224E-04 0.320677751309138E-04 0.395943475269005E-04 0.479151822315313E-04 0.570308775267618E-04 0.669420890661326E-04 0.776495299820832E-04 0.891539710027328E-04 0.101456240578159E-03 0.114557225016216E-03 0.128457868627926E-03 0.143159173882492E-03 0.158662201571973E-03 0.174968070985665E-03 0.192077960094254E-03 0.209993105743777E-03 0.228714803859457E-03 0.248244409659470E-03 0.268583337878708E-03 0.289733063002600E-03 0.311695119511057E-03 0.334471102132627E-03 0.358062666108915E-03 0.382471527469356E-03 0.407699463316431E-03 0.433748312121384E-03 0.460619974030562E-03 0.488316411182433E-03 0.516839648035408E-03 0.546191771706533E-03 0.576374932321196E-03 0.607391343373889E-03 0.639243282100199E-03 0.671933089860102E-03 0.705463172532671E-03 0.739836000922337E-03 0.775054111176831E-03 0.811120105216880E-03 0.848036651177868E-03 0.885806483863521E-03 0.924432405211799E-03 0.963917284773133E-03 0.100426406020111E-02 0.104547573775583E-02 0.108755539282002E-02 0.113050617042810E-02 0.117433128580836E-02 0.121903402493838E-02 0.126461774511397E-02 0.131108587553164E-02 0.135844191788492E-02 0.140668944697468E-02 0.145583211133363E-02 0.150587363386513E-02 0.155681781249665E-02 0.160866852084802E-02 0.166142970891456E-02 0.171510540376561E-02 0.176969971025829E-02 0.182521681176707E-02 0.188166097092913E-02 0.193903653040596E-02 0.199734791366122E-02 0.205659962575534E-02 0.211679625415691E-02 0.217794246957129E-02 0.224004302678660E-02 0.230310276553744E-02 0.236712661138657E-02 0.243211957662486E-02 0.249808676118982E-02 0.256503335360301E-02 0.263296463192662E-02 0.270188596473953E-02 0.277180281213330E-02 0.284272072672823E-02 0.291464535470996E-02 0.298758243688695E-02 0.306153780976919E-02 0.313651740666841E-02 0.321252725882046E-02 0.328957349652981E-02 0.336766235033694E-02 0.344680015220889E-02 0.352699333675328E-02 0.360824844245647E-02 0.369057211294596E-02 0.377397109827790E-02 0.385845225624970E-02 0.394402255373860E-02 0.403068906806640E-02 0.411845898839108E-02 0.420733961712555E-02 0.429733837138422E-02 0.438846278445800E-02 0.448072050731786E-02 0.457411931014810E-02 0.466866708390931E-02 0.476437184193200E-02 0.486124172154141E-02 0.495928498571375E-02 0.505851002476523E-02 0.515892535807361E-02 0.526053963583376E-02 0.536336164084731E-02 0.546740029034728E-02 0.557266463785851E-02 0.567916387509430E-02 0.578690733389040E-02 0.589590448817668E-02 0.600616495598746E-02 0.611769850151154E-02 0.623051503718196E-02 0.634462462580742E-02 0.646003748274507E-02 0.657676397811647E-02 0.669481463906711E-02 0.681420015207026E-02 0.693493136527685E-02 0.705701929091132E-02 0.718047510771521E-02</array>
</module>
</comment>Output text ​
xml
<comment class="example.output" id="qespresso.absorptionspec4">
<module id="qespresso.absorptionspec">
<array dataType="xsd:double" dictRef="q:hbaromega" size="5" units="nonsi2:rydberg">0 0.000073498067 0.000146996134 0.000220494201 0.000293992268</array>
<array dataType="xsd:double" dictRef="cc:oscillator" size="5">-.000000000000000E+00 0.766736322042719E-08 0.306694588961051E-07 0.690063050702381E-07 0.122677931814881E-06</array>
</module>
</comment>Template definition ​
xml
<templateList> <template pattern="\s*\#\s+\\hbar\s*\\omega\(Ry\)\s*Oscillator\s*strength.*" endPattern="\s*" endPattern2="~" endOffset="1"> <record /> <record repeat="*" makeArray="true">{E,q:hbaromega}{E,cc:oscillator}</record> <transform process="pullup" xpath=".//cml:array" repeat="2" />
</template> <template pattern="\s*\#\s+\\hbar\s*\\omega\(eV\)\s*Oscillator\s*strength.*" endPattern="\s*" endPattern2="~" endOffset="1"> <record /> <record repeat="*" makeArray="false">{E,q:hbaromega}{E,cc:oscillator}</record> <transform process="operateScalar" xpath=".//cml:scalar[@dictRef='q:hbaromega']" args="operator=multiply operand=0.0734980670008379" /> <transform process="setValue" xpath=".//cml:scalar[@dictRef='q:hbaromega']" value="$number(round-half-to-even(./text(),14))" /> <transform process="createArray" xpath="." from=".//cml:scalar[@dictRef='q:hbaromega']" /> <transform process="createArray" xpath="." from=".//cml:scalar[@dictRef='cc:oscillator']" /> <transform process="pullup" xpath=".//cml:array" repeat="3" />
</template> <template pattern=".*Chi\sis\sreported\sas\sCHI.*\\hbar\s*\\omega\s*\(Ry\).*" endPattern="~" endOffset="1"> <record repeat="2" /> <record repeat="*" makeArray="true">\s*S\(E\)={E,q:hbaromega}{E,cc:oscillator}</record> <transform process="pullup" xpath=".//cml:array" repeat="3" />
</template> <template pattern=".*Chi\sis\sreported\sas\sCHI.*\\hbar\s*\\omega\s*\(eV\).*" endPattern="~" endOffset="1"> <record repeat="2" /> <record repeat="*" makeArray="false">\s*S\(E\)={E,q:hbaromega}{E,cc:oscillator}.*</record> <transform process="operateScalar" xpath=".//cml:scalar[@dictRef='q:hbaromega']" args="operator=multiply operand=0.0734980670008379" /> <transform process="setValue" xpath=".//cml:scalar[@dictRef='q:hbaromega']" value="$number(round-half-to-even(./text(),14))" /> <transform process="createArray" xpath="." from=".//cml:scalar[@dictRef='q:hbaromega']" /> <transform process="createArray" xpath="." from=".//cml:scalar[@dictRef='cc:oscillator']" /> <transform process="pullup" xpath=".//cml:array" repeat="4" />
</template>
</templateList>
<transform process="addUnits" xpath="//cml:array[@dictRef='q:hbaromega']" value="nonsi2:rydberg" />
<transform process="delete" xpath=".//cml:list[count(*) = 0]" />
<transform process="delete" xpath="./cml:module" />