| Thread Title |
Replies |
Views |
Last Action |
How to specify TZ (Dunning) in an input file.
|
3 |
906 |
Jul 18th 8:47 am
Sean |
Error in Geometry Optimization
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5 |
1253 |
Jul 14th 1:59 pm
Edoapra |
CDFT for dimer calculation
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1 |
1149 |
Jul 9th 8:48 am
Jarvist |
DFT running problem.
|
0 |
822 |
Jul 8th 12:17 am
Nesquik91 |
ERROR IN DFT OPTIMIZATION JOB
|
2 |
1321 |
Jul 6th 8:46 pm
Satvinder singh |
Negative excitation energies with active-space CR-EOMCCSD
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0 |
926 |
Jun 27th 7:58 am
Ewa |
nfreq failed in task raman
|
2 |
1132 |
Jun 25th 11:15 pm
RamanRamanRaman |
problem running on periodic system
|
0 |
731 |
Jun 23rd 8:36 am
Lorenzodona91 |
Error in prepare task.
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0 |
1003 |
Jun 23rd 1:54 am
CFGrote |
PSPW_dplot not producing Gaussian cube file
|
2 |
833 |
Jun 22nd 8:56 pm
Egarr93 |
How to determine the orbital number of homo in a periodic system?
|
2 |
1018 |
Jun 22nd 11:00 am
Zhenjiang |
nwchem 6.6 tests fails with more than 16 cores
|
4 |
992 |
Jun 20th 1:19 pm
Fcannini |
making the movecs file visual?
|
2 |
996 |
Jun 15th 9:48 am
Zhenjiang |
Problem in band_dplot
|
3 |
723 |
Jun 15th 8:56 am
Zhenjiang |
insuff stack error in running job
|
1 |
1487 |
Jun 14th 10:30 am
Edoapra |
Buy Registered IELTS certificates without attending the Exam
|
0 |
888 |
Jun 13th 6:26 am
Debashree |
Erros calculating the raman spectra
|
1 |
1957 |
Jun 6th 1:30 pm
Alarcj |
orbital energy for pspw calculations
|
0 |
970 |
Jun 3rd 2:15 pm
Xw213 |
Problem with frozen atoms
|
1 |
1315 |
May 31st 9:45 am
Bylaska |
HF1D: Insufficient scratch space
|
2 |
1189 |
May 13th 6:17 am
Logsdail |
Spin-orbit parameters
|
0 |
778 |
May 6th 12:15 pm
SP |
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
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0 |
637 |
May 2nd 2:39 pm
SP |
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
|
2 |
1080 |
Apr 29th 5:47 pm
Alarcj |
Another Raman question - WARNING: CPKS procedure is NOT converged
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0 |
900 |
Apr 29th 5:44 pm
Alarcj |
bad gga
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0 |
735 |
Apr 29th 4:38 pm
Godzilla |