Running NWChem

Announcement's	Replies	Views	Last Action
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	1317	Aug 26th 2:05 pm Edoapra
Selected CI from a previous MCSCF computation error	0	851	Aug 25th 9:53 pm Himadride
"shm_create" problem running on parallel nodes	10	1260	Aug 16th 6:29 am Maxjr
Error in IR calculation	1	1081	Aug 11th 9:44 am Edoapra
incosistent DFT energies	2	1042	Aug 10th 5:48 am Afdemoura
trouble with M06-2X	6	1590	Aug 1st 3:22 am Faklerus
DPLOT errors, movecs question	3	1782	Jul 28th 12:36 pm Sean
How to calculate polarizability	4	2049	Jul 27th 5:14 pm NWfmohri
running Nwchem in parallel	4	2020	Jul 27th 9:55 am Neo
How to specify TZ (Dunning) in an input file.	3	980	Jul 18th 8:47 am Sean
Error in Geometry Optimization	5	1362	Jul 14th 1:59 pm Edoapra
CDFT for dimer calculation	1	1273	Jul 9th 8:48 am Jarvist
DFT running problem.	0	878	Jul 8th 12:17 am Nesquik91
ERROR IN DFT OPTIMIZATION JOB	2	1415	Jul 6th 8:46 pm Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD	0	982	Jun 27th 7:58 am Ewa
nfreq failed in task raman	2	1215	Jun 25th 11:15 pm RamanRamanRaman
problem running on periodic system	0	794	Jun 23rd 8:36 am Lorenzodona91
Error in prepare task.	0	1082	Jun 23rd 1:54 am CFGrote
PSPW_dplot not producing Gaussian cube file	2	901	Jun 22nd 8:56 pm Egarr93
How to determine the orbital number of homo in a periodic system?	2	1074	Jun 22nd 11:00 am Zhenjiang
nwchem 6.6 tests fails with more than 16 cores	4	1074	Jun 20th 1:19 pm Fcannini
making the movecs file visual?	2	1082	Jun 15th 9:48 am Zhenjiang
Problem in band_dplot	3	771	Jun 15th 8:56 am Zhenjiang
insuff stack error in running job	1	1560	Jun 14th 10:30 am Edoapra
Buy Registered IELTS certificates without attending the Exam	0	946	Jun 13th 6:26 am Debashree
Erros calculating the raman spectra	1	2024	Jun 6th 1:30 pm Alarcj

Forum >> NWChem's corner >> Running NWChem

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