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
"shm_create" problem running on parallel nodes
 10 1258 Aug 16th 6:29 am
Maxjr
Error in IR calculation
 1 1079 Aug 11th 9:44 am
Edoapra
incosistent DFT energies
 2 1040 Aug 10th 5:48 am
Afdemoura
trouble with M06-2X
 6 1588 Aug 1st 3:22 am
Faklerus
DPLOT errors, movecs question
 3 1780 Jul 28th 12:36 pm
Sean
How to calculate polarizability
 4 2047 Jul 27th 5:14 pm
NWfmohri
running Nwchem in parallel
 4 2018 Jul 27th 9:55 am
Neo
How to specify TZ (Dunning) in an input file.
 3 978 Jul 18th 8:47 am
Sean
Error in Geometry Optimization
 5 1360 Jul 14th 1:59 pm
Edoapra
CDFT for dimer calculation
 1 1271 Jul 9th 8:48 am
Jarvist
DFT running problem.
 0 876 Jul 8th 12:17 am
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
 2 1413 Jul 6th 8:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
 0 980 Jun 27th 7:58 am
Ewa
nfreq failed in task raman
 2 1213 Jun 25th 11:15 pm
RamanRamanRaman
problem running on periodic system
 0 792 Jun 23rd 8:36 am
Lorenzodona91
Error in prepare task.
 0 1080 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
 2 899 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
 2 1072 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
 4 1072 Jun 20th 1:19 pm
Fcannini
making the movecs file visual?
 2 1080 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
 3 769 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
 1 1558 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
 0 944 Jun 13th 6:26 am
Debashree
Erros calculating the raman spectra
 1 2022 Jun 6th 1:30 pm
Alarcj
orbital energy for pspw calculations
 0 1022 Jun 3rd 2:15 pm
Xw213

Forum >> NWChem's corner >> Running NWChem
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