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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4034 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6086 Dec 14th 1:51 pm
Edoapra

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Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 2779 Dec 3rd 3:06 pm
Edoapra
NWChem 6.6 -segmentation fault
Started By : Akrish
0 731 Nov 29th 10:10 pm
Akrish
TAMD
Started By : Silvio
0 615 Nov 12th 2:47 am
Silvio
cvr_scaling bug in zcoord
Started By : Sandile5
1 672 Nov 6th 12:18 pm
Edoapra
Use RT-TDDFT to Explore Phosphorescence
Started By : Rossi
2 1004 Nov 2nd 3:42 am
Sean
Long range Hartree fock.
Started By : Bikash Patra
0 558 Oct 7th 10:00 am
Bikash Patra
meta-gga tddft
Started By : Subrata.jana
1 565 Sep 28th 9:42 am
Subrata.jana
TD-DFT excitation energies of neutral molecules
Started By : Orestis
0 753 Sep 27th 7:07 am
Orestis
Reading charge density
Started By : Bikash
2 769 Sep 12th 8:05 am
Bikash
input file for iodine compounds
Started By : Manu nwchem
1 873 Sep 1st 7:18 am
Manu nwchem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 804 Aug 11th 12:05 pm
Gerardo
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 1017 Jul 14th 6:13 pm
Xiongyan21
how to get band gap in eV
Started By : Subrata.jana
0 699 Jul 7th 8:37 pm
Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas
0 696 Jun 26th 1:58 pm
Dasdevashishdas
fraction occupation number for C
Started By : Subrata.jana
0 588 Jun 24th 10:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 936 Jun 22nd 12:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 999 Jun 22nd 5:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 802 Jun 16th 10:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 747 Jun 15th 9:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 718 Jun 11th 6:12 am
Subrata.jana
number of correlated electrons
Started By : Caoz
3 770 Jun 8th 2:11 am
Caoz
Is it possible in NWChem to determine the individual BDE for any Bond in an organic molecule?
Started By : Brajib
0 604 Jun 2nd 9:57 pm
Brajib
Hello, I am a new member, not yet downloaded/installed NWChem
Started By : Brajib
0 631 Jun 2nd 8:39 am
Brajib
import wavefunction
Started By : Mouse
0 786 May 21st 8:01 pm
Mouse
use nwchem as a library (plans)
Started By : Stanos4
1 1425 May 19th 12:48 pm
Bylaska

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