General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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Chelation energy
 1 1028 Jan 9th 7:22 am
Sean
Chelation energy
 0 980 Jan 7th 5:41 pm
YuanqingWang
ZORA-NMR calculation did not go forward.
 0 960 Dec 29th 7:58 pm
NWfmohri
Euler propagator in rt_tddft
 2 1125 Dec 28th 4:07 pm
Bikash
Magnus propagator rt_tddft
 0 896 Dec 28th 3:53 pm
Bikash
Symmetry breaking in ZORA-NMR calculations
 2 1235 Dec 27th 12:30 am
NWfmohri
Singularity in Pulay matrix - what does this error means ?
 3 1085 Dec 23rd 7:34 am
Sean
degenerate HOMO-LUMO and symmetry
 2 2262 Dec 9th 3:50 pm
Jiachen
Vibrational frequencies (comparison with Gaussian 09)
 0 1606 Dec 2nd 7:41 am
Vedran Ivanic
Error message in "dft_3cincor"
 3 1249 Nov 29th 12:41 pm
Edoapra
NMR, ZORA, and SCF convergence
 0 1211 Nov 20th 5:57 am
Wtransue
User-friendly softwares for NWChem?
 1 1330 Nov 18th 10:50 am
Edoapra
Hyperfine structure
 0 1133 Oct 25th 9:25 am
Jacques
ZORA & Memory/Hard Disk Space Problems
 1 1821 Oct 24th 2:46 pm
Edoapra
lines of tension within a nanostructure
 2 1010 Sep 12th 7:39 am
Afdemoura
theory vs sptheory
 3 1072 Sep 7th 3:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
 1 1084 Sep 6th 8:47 am
Sean
Static electric fields
 1 1535 Sep 2nd 8:57 am
Cgladue
Pipek-Mezey localization output is not documented
 4 1246 Aug 30th 11:57 am
Den59
How to use semiempirical methods?
 0 1466 Aug 29th 10:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
 9 1930 Aug 29th 1:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
 0 889 Aug 23rd 7:32 am
Frank
Slow Frequency Calculations
 0 1544 Aug 12th 7:51 am
D722r894
Electron density.cube file
 1 1988 Jul 27th 7:34 am
Sean
DFT convergence issues
 1 1767 Jul 27th 7:30 am
Sean

Forum >> NWChem's corner >> General Topics
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