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

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Thread Title	Replies	Views	Last Action
Simple dimer DFT calculation with diffuse basis set	2	1092	Jul 7th 8:06 am Orestis
Large input file for benchmarking on GPU node	1	824	Jul 5th 5:04 am Rangsiman
DOS for eg and t2g	0	713	Jun 20th 2:09 pm Devinl
Converting 1D matrix to square hessian matrix	0	647	Jun 18th 6:44 pm Kwaldner
wB97XD functional not available yet??	0	795	Jun 14th 11:16 am Rajesh444
question about multiplicity	4	972	Jun 8th 12:09 pm Kwaldner
How to plot the excitation and emission spectra from output	0	683	Jun 5th 12:21 am Kullboys
Excited state NMR	0	854	May 24th 2:19 pm Chemicalcraig
task tce optimize	1	1127	May 17th 10:31 am Mizuchi
cosmo off	0	633	May 6th 9:00 am P99
How to download old versions of NWCHEM?	2	868	May 3rd 2:35 pm Xinyma
DFT with dummy atoms(no charge)	0	844	May 3rd 5:47 am Neo
Problem restarting a TDDFT calculation using VEM implicit solvent	2	901	Apr 30th 9:22 am Lrdev
How to do Mulliken Population Analysis with MP2?	2	1044	Apr 22nd 3:22 pm Xinyma
Memory issues with ANO-RCC basis	2	883	Apr 20th 9:52 am EmilioMac
ANO-RCC basis set for Yb	3	889	Apr 4th 7:30 am EmilioMac
DFT benchmark	0	816	Apr 3rd 3:35 am Marcof
SODFT collinear or non-collinear xc contribution?	2	829	Mar 21st 2:47 am Jacques D
Oscillating energy in DFT; system does not converge	0	1045	Mar 8th 1:19 am Ankit
RI-MP2 tutorial	0	807	Feb 28th 10:50 pm P99
Number of electrons from Molden	8	1265	Feb 24th 5:47 am Bikash
SCF convergence problems	2	1210	Feb 21st 4:29 pm Edoapra
esp ABS deviation %	0	641	Feb 16th 12:31 am P99
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

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