l302


Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l302
name Generates basis set information
repeat *
endOffset 1
pattern \s*(Enter.*l302..*
endPattern \s*LeavesLinks+302s.*
keep firstandlast
xml:base l302.xml

Comment.

  (Enter /opt/G09/g09/l302.exe)
NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
        NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
One-electron integrals computed using PRISM.
  1 Symmetry operations used in ECPInt.
ECPInt:  NShTT=   38226 NPrTT=  227775 LenC2=   30176 LenP2D=   93518.
LDataN:  DoStor=T MaxTD1= 5 Len=  102
NBasis=   750 RedAO= T  NBF=   750
NBsUse=   749 1.00D-06 NBFU=   749
Precomputing XC quadrature grid using
IXCGrd= 2 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-10.
NRdTot=    4848 NPtTot=      635446 NUsed=      670344 NTot=      670376
NSgBfM=   726   726   727   727   734 NAtAll=    73    73.
Leave Link  302 at Tue Dec 20 22:59:08 2011, MaxMem= 2516582400 cpu:      22.7

Template definition.

<templateList>  <xi:include href="l302/l302.basis.xml" />  <xi:include href="l302/l302.basis2.xml" />
  </templateList>