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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 175 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
oscillator strength for EOM-CC
Started By : Michaelm
1 71 Dec 23rd 1:29 am
Michaelm
write-failed error on large systems
Started By : Samarjeet
3 57 Dec 21st 2:45 pm
Samarjeet
Regarding generation of output file
Started By : Ashimabajaj
1 100 Dec 18th 7:53 am
Samarjeet
COSMO-SMD optimization of large systems
Started By : Samarjeet
0 50 Dec 18th 7:07 am
Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue
9 55 Dec 13th 1:15 pm
Twotoneblue
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 558 Dec 3rd 3:06 pm
Edoapra
NWChem 6.6 -segmentation fault
Started By : Akrish
0 101 Nov 29th 10:10 pm
Akrish
TAMD
Started By : Silvio
0 99 Nov 12th 2:47 am
Silvio
cvr_scaling bug in zcoord
Started By : Sandile5
1 107 Nov 6th 12:18 pm
Edoapra
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 246 Nov 2nd 5:40 pm
Edoapra
Use RT-TDDFT to Explore Phosphorescence
Started By : Rossi
2 290 Nov 2nd 3:42 am
Sean
Long range Hartree fock.
Started By : Bikash Patra
0 100 Oct 7th 10:00 am
Bikash Patra
meta-gga tddft
Started By : Subrata.jana
1 130 Sep 28th 9:42 am
Subrata.jana
TD-DFT excitation energies of neutral molecules
Started By : Orestis
0 125 Sep 27th 7:07 am
Orestis
Reading charge density
Started By : Bikash
2 167 Sep 12th 8:05 am
Bikash
input file for iodine compounds
Started By : Manu nwchem
1 213 Sep 1st 7:18 am
Manu nwchem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 170 Aug 11th 12:05 pm
Gerardo
how to get band gap in eV
Started By : Subrata.jana
0 172 Jul 7th 8:37 pm
Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas
0 190 Jun 26th 1:58 pm
Dasdevashishdas
fraction occupation number for C
Started By : Subrata.jana
0 173 Jun 24th 10:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 202 Jun 22nd 12:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 217 Jun 22nd 5:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 307 Jun 16th 10:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 191 Jun 15th 9:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 217 Jun 11th 6:12 am
Subrata.jana

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