General Topics


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

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SO-DFT stability
 5 1711 Sep 19th 3:27 pm
Yjiao03
NWChem 6.5 has been released
 0 10540 Sep 15th 11:02 am
Karol
NWChem/Blue gene p/DFT/Density Fitting
 0 1487 Sep 11th 3:23 am
Yury
Nbo
 1 1868 Sep 11th 2:29 am
Zzdbl520
CRENBL spin-orbit ECP
 2 2974 Sep 10th 7:28 pm
Yjiao03
How to intelligently define parameters for "disp" in DFT calculation?
 0 1171 Sep 9th 9:07 am
Kpelzer
New user needing help with NWChem
 4 3076 Sep 7th 1:07 am
LonelySpooky
EA/IP-EOM-CC Implemented in nwchem?
 4 2604 Sep 5th 10:19 am
Karol
unable to locate singlet diradical in NWChem
 1 1518 Sep 3rd 1:02 pm
Edoapra
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference
 12 2580 Sep 2nd 8:13 pm
Sri4mailing
Using Fragment Guess to get coupling between MOs?
 0 1637 Sep 1st 1:18 pm
Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!
 1 1644 Aug 26th 8:30 am
Neo
Geometry optimizations that won't converge
 5 1722 Aug 25th 10:24 am
Kpelzer
Vectors for further analysis
 0 1197 Aug 24th 10:32 am
Vojtech.vlcek
Problem with DIRDYVTST calculation
 6 2421 Aug 23rd 7:25 am
Rana
Link NBO to NWCHEM 6.3
 0 1552 Aug 16th 9:22 pm
Nazari
SCF convergence failure
 0 1448 Aug 12th 3:38 pm
Chun-hung.wang
QA tests failing
 4 2241 Aug 12th 12:10 pm
Eberrios
Difference between ESP from task property and task esp
 0 1220 Aug 11th 6:12 am
Mime
Hamiltonian Matrix Elements and Overlap Matrix Elements
 0 1683 Aug 9th 3:15 pm
Cmjohns6
About NBO-6.0
 0 1874 Jul 31st 6:21 pm
Rintontin
Why does nwchem give different results from Molpro does?
 9 3631 Jul 31st 2:08 pm
Zfang
error in installing
 6 1884 Jul 27th 2:25 pm
Mernst
DPlot: movecs_read_header failed
 2 2767 Jul 23rd 9:50 am
Aggie2015
What is xc hfexch ?
 0 1421 Jul 13th 9:59 pm
Nazarov

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