General Topics

Announcement's	Replies	Views	Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed	0	9997	Jun 7th 4:53 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	12336	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
problem with compilation	5	1370	May 11th 11:10 am Edoapra
How is HOMO-LUMO gap value calculated?	1	1476	May 11th 11:04 am Edoapra
�??ＮＹＴ�?�?�?�??�?＠Ｍ �?�??�??ＵＰ&	0	566	May 9th 10:10 pm 8383bmw
Raman calculations at zero kelvin	0	982	Apr 27th 11:10 am Alarcj
LC-wPBE problem	1	2628	Apr 19th 10:31 am Niri
unknown SCFTYPE error	1	1397	Apr 14th 12:38 pm Edoapra
convergence fails during mp2 calculations	2	1455	Apr 10th 11:10 pm Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF	2	2866	Apr 5th 12:17 am Marcel
2 atoms optimization failed	3	1096	Mar 28th 10:01 am Sean
NWChem CML code	4	1164	Mar 14th 12:14 pm Drhaney
SMD Error	0	1057	Mar 11th 6:56 pm Mhiranya
a demonstration portal from CSI	1	1128	Mar 11th 11:19 am Bwang2453
Fermi-Amaldi Factor	0	1144	Mar 9th 8:22 am Wiliamcunha
FASTESP	1	1458	Feb 25th 11:59 am Edoapra
Calculating Density of a system	0	1109	Feb 21st 5:23 am Michael
Effective core potential (ECP): for atoms or for elements?	0	1565	Feb 10th 8:15 am Hua
Polarizability	3	1951	Feb 10th 8:11 am Hua
Using NWChem to generate WFN files	0	1637	Feb 5th 6:27 pm LonelySpooky
Torsion scanning error	1	1378	Feb 2nd 1:10 pm Pdpatel
SCS-CCSD is bogus on restart	2	1339	Jan 25th 2:54 pm Jhammond
problem in running a job in NWCHEM	2	3842	Jan 25th 1:45 pm Bvoigt
graphene isotope	1	1472	Jan 22nd 12:47 pm Sean
Different basis sets for the same atoms/molecules	1	1233	Jan 22nd 10:58 am Edoapra
NMR and chemical shifts in NWChem	8	2759	Jan 19th 4:12 am LonelySpooky
geometry optimazation rings system	0	1193	Jan 15th 11:47 pm YALDA88
antiferromagnetic coupling	3	1550	Jan 15th 8:03 am YALDA88

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