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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
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Dec 14th 2:51 pm
Edoapra
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How is HOMO-LUMO gap value calculated?
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1478
May 11th 11:04 am
Edoapra
ã??NYTï¼?ï¼?ï¼?ã??ï½?ï¼ ï¼ ì½?ë??â??UP&
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568
May 9th 10:10 pm
8383bmw
Raman calculations at zero kelvin
0
984
Apr 27th 11:10 am
Alarcj
LC-wPBE problem
1
2630
Apr 19th 10:31 am
Niri
unknown SCFTYPE error
1
1399
Apr 14th 12:38 pm
Edoapra
convergence fails during mp2 calculations
2
1457
Apr 10th 11:10 pm
Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
2
2868
Apr 5th 12:17 am
Marcel
2 atoms optimization failed
3
1098
Mar 28th 10:01 am
Sean
NWChem CML code
4
1166
Mar 14th 12:14 pm
Drhaney
SMD Error
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1059
Mar 11th 6:56 pm
Mhiranya
a demonstration portal from CSI
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1129
Mar 11th 11:19 am
Bwang2453
Fermi-Amaldi Factor
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1146
Mar 9th 8:22 am
Wiliamcunha
FASTESP
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1460
Feb 25th 11:59 am
Edoapra
Calculating Density of a system
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1111
Feb 21st 5:23 am
Michael
Effective core potential (ECP): for atoms or for elements?
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1567
Feb 10th 8:15 am
Hua
Polarizability
3
1953
Feb 10th 8:11 am
Hua
Using NWChem to generate WFN files
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1639
Feb 5th 6:27 pm
LonelySpooky
Torsion scanning error
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1380
Feb 2nd 1:10 pm
Pdpatel
SCS-CCSD is bogus on restart
2
1341
Jan 25th 2:54 pm
Jhammond
problem in running a job in NWCHEM
2
3844
Jan 25th 1:45 pm
Bvoigt
graphene isotope
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1474
Jan 22nd 12:47 pm
Sean
Different basis sets for the same atoms/molecules
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1235
Jan 22nd 10:58 am
Edoapra
NMR and chemical shifts in NWChem
8
2761
Jan 19th 4:12 am
LonelySpooky
geometry optimazation rings system
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1195
Jan 15th 11:47 pm
YALDA88
antiferromagnetic coupling
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1552
Jan 15th 8:03 am
YALDA88
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