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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3336 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5416 Dec 14th 2:51 pm
Edoapra

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Vibrational frequencies (comparison with Gaussian 09)
Started By : Vedran Ivanic
0 1287 Dec 2nd 7:41 am
Vedran Ivanic
Error message in "dft_3cincor"
Started By : Abende
3 986 Nov 29th 12:41 pm
Edoapra
NMR, ZORA, and SCF convergence
Started By : Wtransue
0 960 Nov 20th 5:57 am
Wtransue
User-friendly softwares for NWChem?
Started By : LonelySpooky
1 1098 Nov 18th 10:50 am
Edoapra
AO overlap for different geometries
Started By : Chemicalcraig
2 955 Nov 8th 11:27 am
Chemicalcraig
Hyperfine structure
Started By : Jacques
0 931 Oct 25th 9:25 am
Jacques
ZORA & Memory/Hard Disk Space Problems
Started By : Wtransue
1 1376 Oct 24th 2:46 pm
Edoapra
lines of tension within a nanostructure
Started By : Afdemoura
2 795 Sep 12th 7:39 am
Afdemoura
theory vs sptheory
Started By : Bjhanson
3 826 Sep 7th 3:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
Started By : Danielreta
1 823 Sep 6th 8:47 am
Sean
Static electric fields
Started By : Cgladue
1 1223 Sep 2nd 8:57 am
Cgladue
Pipek-Mezey localization output is not documented
Started By : Den59
4 945 Aug 30th 11:57 am
Den59
How to use semiempirical methods?
Started By : Daniel Alher
0 1151 Aug 29th 10:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
Started By : Den59
9 1536 Aug 29th 1:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
Started By : Frank
0 665 Aug 23rd 7:32 am
Frank
Slow Frequency Calculations
Started By : D722r894
0 1209 Aug 12th 7:51 am
D722r894
Electron density.cube file
Started By : P99
1 1583 Jul 27th 7:34 am
Sean
DFT convergence issues
Started By : Manndar22
1 1306 Jul 27th 7:30 am
Sean
dft directive help required
Started By : Neo
0 887 Jul 13th 5:54 am
Neo
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 1130 Jul 6th 10:21 am
Edoapra
Merz-kollman charges
Started By : Mlozano
0 1594 Jun 29th 8:19 pm
Mlozano
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
9 8601 Jun 22nd 9:59 am
Niri
Geometry optimization along one particular axis
Started By : Nwchemy
0 917 Jun 20th 2:34 pm
Nwchemy
How to optimized a metal organic framework with a large ligand?
Started By : Holyriver6
0 858 Jun 18th 1:41 pm
Holyriver6
Geometry optimization with dispersion correction vdw 3
Started By : Danielreta
3 1365 Jun 15th 9:39 am
Edoapra

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