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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1202 Dec 14th 2:51 pm
Edoapra

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User-friendly softwares for NWChem?
Started By : LonelySpooky
1 769 Nov 18th 10:50 am
Edoapra
AO overlap for different geometries
Started By : Chemicalcraig
2 630 Nov 8th 11:27 am
Chemicalcraig
Hyperfine structure
Started By : Jacques
0 668 Oct 25th 9:25 am
Jacques
ZORA & Memory/Hard Disk Space Problems
Started By : Wtransue
1 836 Oct 24th 2:46 pm
Edoapra
lines of tension within a nanostructure
Started By : Afdemoura
2 541 Sep 12th 7:39 am
Afdemoura
theory vs sptheory
Started By : Bjhanson
3 584 Sep 7th 3:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
Started By : Danielreta
1 544 Sep 6th 8:47 am
Sean
Static electric fields
Started By : Cgladue
1 804 Sep 2nd 8:57 am
Cgladue
Pipek-Mezey localization output is not documented
Started By : Den59
4 556 Aug 30th 11:57 am
Den59
How to use semiempirical methods?
Started By : Daniel Alher
0 692 Aug 29th 10:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
Started By : Den59
9 990 Aug 29th 1:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
Started By : Frank
0 414 Aug 23rd 7:32 am
Frank
Slow Frequency Calculations
Started By : D722r894
0 851 Aug 12th 7:51 am
D722r894
Electron density.cube file
Started By : P99
1 1108 Jul 27th 7:34 am
Sean
DFT convergence issues
Started By : Manndar22
1 783 Jul 27th 7:30 am
Sean
dft directive help required
Started By : Neo
0 647 Jul 13th 5:54 am
Neo
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 773 Jul 6th 10:21 am
Edoapra
Merz-kollman charges
Started By : Mlozano
0 1032 Jun 29th 8:19 pm
Mlozano
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
9 7896 Jun 22nd 9:59 am
Niri
Geometry optimization along one particular axis
Started By : Nwchemy
0 652 Jun 20th 2:34 pm
Nwchemy
How to optimized a metal organic framework with a large ligand?
Started By : Holyriver6
0 615 Jun 18th 1:41 pm
Holyriver6
Geometry optimization with dispersion correction vdw 3
Started By : Danielreta
3 775 Jun 15th 9:39 am
Edoapra
scf convergence fails for Uranium based coordination compounds
Started By : Danielreta
9 967 Jun 10th 6:08 am
Danielreta
Raman Spectrum of carbon chains: How to identify the vibrational modes
Started By : Alarcj
1 911 Jun 6th 12:54 pm
Alarcj
Segmentation Violation error, status=: 11
Started By : Frank.ramirez
1 536 Jun 3rd 3:43 pm
Frank.ramirez

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