l302 ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
Template attributes ​
| Attribute | Value |
|---|---|
| source | Gaussian log |
| id | l302 |
| name | Generates basis set information |
| repeat | * |
| endOffset | 1 |
| pattern | \s*\(Enter.*l302\..* |
| endPattern | \s*Leave\sLink\s+302\s.* |
| 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 ​
xml
<templateList> <xi:include href="l302/l302.basis.xml" /> <xi:include href="l302/l302.basis2.xml" />
</templateList>