Thread Title |
Replies |
Views |
Last Action |
Selected CI from a previous MCSCF computation error
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0 |
850 |
Aug 25th 9:53 pm Himadride |
"shm_create" problem running on parallel nodes
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10 |
1259 |
Aug 16th 6:29 am Maxjr |
Error in IR calculation
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1 |
1080 |
Aug 11th 9:44 am Edoapra |
incosistent DFT energies
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2 |
1041 |
Aug 10th 5:48 am Afdemoura |
trouble with M06-2X
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6 |
1589 |
Aug 1st 3:22 am Faklerus |
DPLOT errors, movecs question
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3 |
1781 |
Jul 28th 12:36 pm Sean |
How to calculate polarizability
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4 |
2048 |
Jul 27th 5:14 pm NWfmohri |
running Nwchem in parallel
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4 |
2019 |
Jul 27th 9:55 am Neo |
How to specify TZ (Dunning) in an input file.
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3 |
979 |
Jul 18th 8:47 am Sean |
Error in Geometry Optimization
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5 |
1361 |
Jul 14th 1:59 pm Edoapra |
CDFT for dimer calculation
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1 |
1272 |
Jul 9th 8:48 am Jarvist |
DFT running problem.
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0 |
877 |
Jul 8th 12:17 am Nesquik91 |
ERROR IN DFT OPTIMIZATION JOB
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2 |
1414 |
Jul 6th 8:46 pm Satvinder singh |
Negative excitation energies with active-space CR-EOMCCSD
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0 |
981 |
Jun 27th 7:58 am Ewa |
nfreq failed in task raman
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2 |
1214 |
Jun 25th 11:15 pm RamanRamanRaman |
problem running on periodic system
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0 |
793 |
Jun 23rd 8:36 am Lorenzodona91 |
Error in prepare task.
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0 |
1081 |
Jun 23rd 1:54 am CFGrote |
PSPW_dplot not producing Gaussian cube file
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2 |
900 |
Jun 22nd 8:56 pm Egarr93 |
How to determine the orbital number of homo in a periodic system?
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2 |
1073 |
Jun 22nd 11:00 am Zhenjiang |
nwchem 6.6 tests fails with more than 16 cores
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4 |
1073 |
Jun 20th 1:19 pm Fcannini |
making the movecs file visual?
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2 |
1081 |
Jun 15th 9:48 am Zhenjiang |
Problem in band_dplot
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3 |
770 |
Jun 15th 8:56 am Zhenjiang |
insuff stack error in running job
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1 |
1559 |
Jun 14th 10:30 am Edoapra |
Buy Registered IELTS certificates without attending the Exam
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0 |
945 |
Jun 13th 6:26 am Debashree |
Erros calculating the raman spectra
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1 |
2023 |
Jun 6th 1:30 pm Alarcj |