General Topics

From NWChem

General topics related to NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 348 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2048 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2177 Jan 28th 1:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5664 Oct 20th 3:12 pm
Edoapra

Jump to page 12345678Next 25Last
Thread Title Replies Views Last Action
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue
0 8 Dec 12th 12:12 pm
Twotoneblue
NWChem 6.6 -segmentation fault
Started By : Akrish
0 56 Nov 29th 10:10 pm
Akrish
Regarding generation of output file
Started By : Ashimabajaj
0 57 Nov 16th 4:12 am
Ashimabajaj
TAMD
Started By : Silvio
0 58 Nov 12th 2:47 am
Silvio
cvr_scaling bug in zcoord
Started By : Sandile5
1 69 Nov 6th 12:18 pm
Edoapra
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 182 Nov 2nd 5:40 pm
Edoapra
Use RT-TDDFT to Explore Phosphorescence
Started By : Rossi
2 237 Nov 2nd 3:42 am
Sean
Long range Hartree fock.
Started By : Bikash Patra
0 70 Oct 7th 10:00 am
Bikash Patra
meta-gga tddft
Started By : Subrata.jana
1 102 Sep 28th 9:42 am
Subrata.jana
TD-DFT excitation energies of neutral molecules
Started By : Orestis
0 83 Sep 27th 7:07 am
Orestis
Reading charge density
Started By : Bikash
2 117 Sep 12th 8:05 am
Bikash
input file for iodine compounds
Started By : Manu nwchem
1 163 Sep 1st 7:18 am
Manu nwchem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 119 Aug 11th 12:05 pm
Gerardo
how to get band gap in eV
Started By : Subrata.jana
0 138 Jul 7th 8:37 pm
Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas
0 148 Jun 26th 1:58 pm
Dasdevashishdas
fraction occupation number for C
Started By : Subrata.jana
0 142 Jun 24th 10:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 169 Jun 22nd 12:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 170 Jun 22nd 5:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 256 Jun 16th 10:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 165 Jun 15th 9:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 149 Jun 11th 6:12 am
Subrata.jana
number of correlated electrons
Started By : Caoz
3 234 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
0 184 Jun 2nd 9:57 pm
Brajib
Hello, I am a new member, not yet downloaded/installed NWChem
Started By : Brajib
0 143 Jun 2nd 8:39 am
Brajib
import wavefunction
Started By : Mouse
0 203 May 21st 8:01 pm
Mouse

Forum >> NWChem's corner >> General Topics
Jump to page 12345678Next 25Last



Who's here now Members 1 Guests 1 Bots/Crawler 6
Ryan81


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC