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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4114 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6172 Dec 14th 1:51 pm
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ZORA-NMR calculation did not go forward.
Started By : NWfmohri
0 756 Dec 29th 6:58 pm
NWfmohri
Euler propagator in rt_tddft
Started By : Bikash
2 926 Dec 28th 3:07 pm
Bikash
Magnus propagator rt_tddft
Started By : Bikash
0 686 Dec 28th 2:53 pm
Bikash
Symmetry breaking in ZORA-NMR calculations
Started By : NWfmohri
2 1043 Dec 26th 11:30 pm
NWfmohri
Singularity in Pulay matrix - what does this error means ?
Started By : Neo
3 833 Dec 23rd 6:34 am
Sean
degenerate HOMO-LUMO and symmetry
Started By : Jiachen
2 1807 Dec 9th 2:50 pm
Jiachen
Vibrational frequencies (comparison with Gaussian 09)
Started By : Vedran Ivanic
0 1312 Dec 2nd 6:41 am
Vedran Ivanic
Error message in "dft_3cincor"
Started By : Abende
3 1007 Nov 29th 11:41 am
Edoapra
NMR, ZORA, and SCF convergence
Started By : Wtransue
0 983 Nov 20th 4:57 am
Wtransue
User-friendly softwares for NWChem?
Started By : LonelySpooky
1 1127 Nov 18th 9:50 am
Edoapra
Hyperfine structure
Started By : Jacques
0 952 Oct 25th 8:25 am
Jacques
ZORA & Memory/Hard Disk Space Problems
Started By : Wtransue
1 1405 Oct 24th 1:46 pm
Edoapra
lines of tension within a nanostructure
Started By : Afdemoura
2 816 Sep 12th 6:39 am
Afdemoura
theory vs sptheory
Started By : Bjhanson
3 845 Sep 7th 2:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
Started By : Danielreta
1 847 Sep 6th 7:47 am
Sean
Static electric fields
Started By : Cgladue
1 1265 Sep 2nd 7:57 am
Cgladue
Pipek-Mezey localization output is not documented
Started By : Den59
4 977 Aug 30th 10:57 am
Den59
How to use semiempirical methods?
Started By : Daniel Alher
0 1188 Aug 29th 9:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
Started By : Den59
9 1581 Aug 29th 12:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
Started By : Frank
0 683 Aug 23rd 6:32 am
Frank
Slow Frequency Calculations
Started By : D722r894
0 1234 Aug 12th 6:51 am
D722r894
Electron density.cube file
Started By : P99
1 1619 Jul 27th 6:34 am
Sean
DFT convergence issues
Started By : Manndar22
1 1355 Jul 27th 6:30 am
Sean
dft directive help required
Started By : Neo
0 905 Jul 13th 4:54 am
Neo
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 1152 Jul 6th 9:21 am
Edoapra

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