General Topics

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
problem with compilation	5	1449	May 11th 11:10 am Edoapra
How is HOMO-LUMO gap value calculated?	1	1551	May 11th 11:04 am Edoapra
ã??ＮＹＴï¼?ï¼?ï¼?ã??ï½?ï¼ ï¼­ ì½?ë??â??ＵＰ&	0	621	May 9th 10:10 pm 8383bmw
Raman calculations at zero kelvin	0	1058	Apr 27th 11:10 am Alarcj
LC-wPBE problem	1	2726	Apr 19th 10:31 am Niri
unknown SCFTYPE error	1	1481	Apr 14th 12:38 pm Edoapra
convergence fails during mp2 calculations	2	1551	Apr 10th 11:10 pm Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF	2	2995	Apr 5th 12:17 am Marcel
2 atoms optimization failed	3	1166	Mar 28th 10:01 am Sean
NWChem CML code	4	1232	Mar 14th 12:14 pm Drhaney
SMD Error	0	1130	Mar 11th 6:56 pm Mhiranya
a demonstration portal from CSI	1	1215	Mar 11th 11:19 am Bwang2453
Fermi-Amaldi Factor	0	1206	Mar 9th 8:22 am Wiliamcunha
FASTESP	1	1522	Feb 25th 11:59 am Edoapra
Calculating Density of a system	0	1187	Feb 21st 5:23 am Michael
Effective core potential (ECP): for atoms or for elements?	0	1657	Feb 10th 8:15 am Hua
Polarizability	3	2055	Feb 10th 8:11 am Hua
Using NWChem to generate WFN files	0	1727	Feb 5th 6:27 pm LonelySpooky
Torsion scanning error	1	1453	Feb 2nd 1:10 pm Pdpatel
SCS-CCSD is bogus on restart	2	1430	Jan 25th 2:54 pm Jhammond
problem in running a job in NWCHEM	2	4022	Jan 25th 1:45 pm Bvoigt
graphene isotope	1	1546	Jan 22nd 12:47 pm Sean
Different basis sets for the same atoms/molecules	1	1303	Jan 22nd 10:58 am Edoapra
NMR and chemical shifts in NWChem	8	2893	Jan 19th 4:12 am LonelySpooky
geometry optimazation rings system	0	1246	Jan 15th 11:47 pm YALDA88

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