General Topics

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

Jump to page 1Prev 25567891011Next 25Last

Thread Title	Replies	Views	Last Action
QA/doqmtests.mpi failures	2	864	Feb 8th 2:42 am Jasno
instruction for carrying out UHF calculations of H2 molecule	2	1170	Jan 30th 9:23 pm Ypwang
BSSE energy negative value	3	1014	Jan 26th 10:33 am Edoapra
Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets	2	980	Jan 23rd 4:03 am Ctu
ga_print	2	954	Jan 23rd 2:04 am Jacques D
oscillator strength for EOM-CC	1	1010	Dec 23rd 2:29 am Michaelm
write-failed error on large systems	3	1105	Dec 21st 3:45 pm Samarjeet
Regarding generation of output file	1	728	Dec 18th 8:53 am Samarjeet
COSMO-SMD optimization of large systems	0	818	Dec 18th 8:07 am Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g	9	1310	Dec 13th 2:15 pm Twotoneblue
Third release candidate for NWChem 6.8 available	7	3184	Dec 3rd 4:06 pm Edoapra
NWChem 6.6 -segmentation fault	0	966	Nov 29th 11:10 pm Akrish
TAMD	0	866	Nov 12th 3:47 am Silvio
cvr_scaling bug in zcoord	1	944	Nov 6th 1:18 pm Edoapra
Use RT-TDDFT to Explore Phosphorescence	2	1261	Nov 2nd 4:42 am Sean
Long range Hartree fock.	0	765	Oct 7th 11:00 am Bikash Patra
meta-gga tddft	1	763	Sep 28th 10:42 am Subrata.jana
TD-DFT excitation energies of neutral molecules	0	992	Sep 27th 8:07 am Orestis
Reading charge density	2	1057	Sep 12th 9:05 am Bikash
input file for iodine compounds	1	1162	Sep 1st 8:18 am Manu nwchem
Error message in "dft 3cincor", revisited	4	1094	Aug 11th 1:05 pm Gerardo
When will new version of NWCHEM be released?	1	1241	Jul 14th 7:13 pm Xiongyan21
how to get band gap in eV	0	911	Jul 7th 9:37 pm Subrata.jana
Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM	0	912	Jun 26th 2:58 pm Dasdevashishdas
fraction occupation number for C	0	823	Jun 24th 11:58 pm Subrata.jana

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 25567891011Next 25Last