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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra 		0 261 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
esp ABS deviation %
Started By : P99 		0 18 Feb 15th 11:31 pm
P99
QA/doqmtests.mpi failures
Started By : Jasno 		2 39 Feb 8th 1:42 am
Jasno
instruction for carrying out UHF calculations of H2 molecule
Started By : Ypwang 		1 59 Jan 30th 8:23 pm
Ypwang
BSSE energy negative value
Started By : Marcel 		3 61 Jan 26th 9:33 am
Edoapra
Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets
Started By : Ctu 		2 56 Jan 23rd 3:03 am
Ctu
ga_print
Started By : Jacques D 		2 48 Jan 23rd 1:04 am
Jacques D
oscillator strength for EOM-CC
Started By : Michaelm 		1 104 Dec 23rd 1:29 am
Michaelm
write-failed error on large systems
Started By : Samarjeet 		3 77 Dec 21st 2:45 pm
Samarjeet
Regarding generation of output file
Started By : Ashimabajaj 		1 127 Dec 18th 7:53 am
Samarjeet
COSMO-SMD optimization of large systems
Started By : Samarjeet 		0 81 Dec 18th 7:07 am
Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue 		9 118 Dec 13th 1:15 pm
Twotoneblue
Third release candidate for NWChem 6.8 available
Started By : Edoapra 		7 667 Dec 3rd 3:06 pm
Edoapra
NWChem 6.6 -segmentation fault
Started By : Akrish 		0 146 Nov 29th 10:10 pm
Akrish
TAMD
Started By : Silvio 		0 137 Nov 12th 2:47 am
Silvio
cvr_scaling bug in zcoord
Started By : Sandile5 		1 126 Nov 6th 12:18 pm
Edoapra
When will new version of NWCHEM be released?
Started By : Xiongyan21 		1 309 Nov 2nd 5:40 pm
Edoapra
Use RT-TDDFT to Explore Phosphorescence
Started By : Rossi 		2 320 Nov 2nd 3:42 am
Sean
Long range Hartree fock.
Started By : Bikash Patra 		0 120 Oct 7th 10:00 am
Bikash Patra
meta-gga tddft
Started By : Subrata.jana 		1 149 Sep 28th 9:42 am
Subrata.jana
TD-DFT excitation energies of neutral molecules
Started By : Orestis 		0 160 Sep 27th 7:07 am
Orestis
Reading charge density
Started By : Bikash 		2 200 Sep 12th 8:05 am
Bikash
input file for iodine compounds
Started By : Manu nwchem 		1 243 Sep 1st 7:18 am
Manu nwchem
Error message in "dft 3cincor", revisited
Started By : Gerardo 		4 192 Aug 11th 12:05 pm
Gerardo
how to get band gap in eV
Started By : Subrata.jana 		0 198 Jul 7th 8:37 pm
Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas 		0 218 Jun 26th 1:58 pm
Dasdevashishdas

Forum >> NWChem's corner >> General Topics
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