Running NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
"rtdb_open old failed" on BG/Q when old rtdb file exists
2 1318 Aug 26th 2:05 pm
Edoapra
Selected CI from a previous MCSCF computation error
0 852 Aug 25th 9:53 pm
Himadride
"shm_create" problem running on parallel nodes
10 1261 Aug 16th 6:29 am
Maxjr
Error in IR calculation
1 1082 Aug 11th 9:44 am
Edoapra
incosistent DFT energies
2 1043 Aug 10th 5:48 am
Afdemoura
trouble with M06-2X
6 1591 Aug 1st 3:22 am
Faklerus
DPLOT errors, movecs question
3 1783 Jul 28th 12:36 pm
Sean
How to calculate polarizability
4 2050 Jul 27th 5:14 pm
NWfmohri
running Nwchem in parallel
4 2021 Jul 27th 9:55 am
Neo
How to specify TZ (Dunning) in an input file.
3 981 Jul 18th 8:47 am
Sean
Error in Geometry Optimization
5 1363 Jul 14th 1:59 pm
Edoapra
CDFT for dimer calculation
1 1274 Jul 9th 8:48 am
Jarvist
DFT running problem.
0 879 Jul 8th 12:17 am
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
2 1416 Jul 6th 8:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
0 983 Jun 27th 7:58 am
Ewa
nfreq failed in task raman
2 1216 Jun 25th 11:15 pm
RamanRamanRaman
problem running on periodic system
0 795 Jun 23rd 8:36 am
Lorenzodona91
Error in prepare task.
0 1083 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
2 902 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
2 1075 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
4 1075 Jun 20th 1:19 pm
Fcannini
making the movecs file visual?
2 1083 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
3 772 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
1 1561 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
0 947 Jun 13th 6:26 am
Debashree

Forum >> NWChem's corner >> Running NWChem
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