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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 470 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2807 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
oscillator strength for EOM-CC
Started By : Michaelm
1 642 Dec 23rd 2:29 am
Michaelm
write-failed error on large systems
Started By : Samarjeet
3 530 Dec 21st 3:45 pm
Samarjeet
Regarding generation of output file
Started By : Ashimabajaj
1 447 Dec 18th 8:53 am
Samarjeet
COSMO-SMD optimization of large systems
Started By : Samarjeet
0 492 Dec 18th 8:07 am
Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue
9 867 Dec 13th 2:15 pm
Twotoneblue
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 2425 Dec 3rd 4:06 pm
Edoapra
NWChem 6.6 -segmentation fault
Started By : Akrish
0 616 Nov 29th 11:10 pm
Akrish
TAMD
Started By : Silvio
0 496 Nov 12th 3:47 am
Silvio
cvr_scaling bug in zcoord
Started By : Sandile5
1 541 Nov 6th 1:18 pm
Edoapra
Use RT-TDDFT to Explore Phosphorescence
Started By : Rossi
2 864 Nov 2nd 4:42 am
Sean
Long range Hartree fock.
Started By : Bikash Patra
0 451 Oct 7th 11:00 am
Bikash Patra
meta-gga tddft
Started By : Subrata.jana
1 470 Sep 28th 10:42 am
Subrata.jana
TD-DFT excitation energies of neutral molecules
Started By : Orestis
0 634 Sep 27th 8:07 am
Orestis
Reading charge density
Started By : Bikash
2 634 Sep 12th 9:05 am
Bikash
input file for iodine compounds
Started By : Manu nwchem
1 725 Sep 1st 8:18 am
Manu nwchem
Error message in "dft 3cincor", revisited
Started By : Gerardo
4 636 Aug 11th 1:05 pm
Gerardo
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 892 Jul 14th 7:13 pm
Xiongyan21
how to get band gap in eV
Started By : Subrata.jana
0 590 Jul 7th 9:37 pm
Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas
0 595 Jun 26th 2:58 pm
Dasdevashishdas
fraction occupation number for C
Started By : Subrata.jana
0 481 Jun 24th 11:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 806 Jun 22nd 1:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 858 Jun 22nd 6:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 691 Jun 16th 11:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 617 Jun 15th 10:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 619 Jun 11th 7:12 am
Subrata.jana

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