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
Handling of space groups	2	1695	Sep 27th 9:48 am P99
SCS-CCSD optimization	1	1857	Sep 25th 1:40 pm Edoapra
Problem with CCSDT(2)_Q	8	2471	Sep 23rd 1:07 am P99
MO analysis	0	1509	Sep 21st 1:08 pm Extremis
SO-DFT stability	5	1780	Sep 19th 3:27 pm Yjiao03
NWChem 6.5 has been released	0	10595	Sep 15th 11:02 am Karol
NWChem/Blue gene p/DFT/Density Fitting	0	1546	Sep 11th 3:23 am Yury
Nbo	1	1929	Sep 11th 2:29 am Zzdbl520
CRENBL spin-orbit ECP	2	3055	Sep 10th 7:28 pm Yjiao03
How to intelligently define parameters for "disp" in DFT calculation?	0	1225	Sep 9th 9:07 am Kpelzer
New user needing help with NWChem	4	3207	Sep 7th 1:07 am LonelySpooky
EA/IP-EOM-CC Implemented in nwchem?	4	2707	Sep 5th 10:19 am Karol
unable to locate singlet diradical in NWChem	1	1572	Sep 3rd 1:02 pm Edoapra
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference	12	2659	Sep 2nd 8:13 pm Sri4mailing
Using Fragment Guess to get coupling between MOs?	0	1680	Sep 1st 1:18 pm Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!	1	1695	Aug 26th 8:30 am Neo
Geometry optimizations that won't converge	5	1778	Aug 25th 10:24 am Kpelzer
Vectors for further analysis	0	1264	Aug 24th 10:32 am Vojtech.vlcek
Problem with DIRDYVTST calculation	6	2499	Aug 23rd 7:25 am Rana
Link NBO to NWCHEM 6.3	0	1605	Aug 16th 9:22 pm Nazari
SCF convergence failure	0	1493	Aug 12th 3:38 pm Chun-hung.wang
QA tests failing	4	2333	Aug 12th 12:10 pm Eberrios
Difference between ESP from task property and task esp	0	1257	Aug 11th 6:12 am Mime
Hamiltonian Matrix Elements and Overlap Matrix Elements	0	1743	Aug 9th 3:15 pm Cmjohns6
About NBO-6.0	0	1931	Jul 31st 6:21 pm Rintontin
Why does nwchem give different results from Molpro does?	9	3746	Jul 31st 2:08 pm Zfang

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