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
Geometry dependent GIAO NMR calculation error	3	2014	Nov 4th 2:58 am Kristaps
choice of basis set for amino acid	0	1164	Nov 3rd 5:53 am Neo
diis alternative?	0	1514	Nov 1st 6:35 pm Nwchemy
diis stops after 100 scf runs	0	1382	Nov 1st 6:15 pm Nwchemy
> Plutonium	0	1599	Oct 22nd 2:16 pm P99
nbofile	1	1583	Oct 16th 9:54 am Rintontin
problem using def2-sv(p) basis	2	2151	Oct 14th 9:07 am Edoapra
optimization fluctuating and running out of cycles	1	1323	Oct 8th 1:37 pm Jbaltrus
Velocity units geometry	0	1297	Oct 6th 10:37 am Ars
About Patching Nwchem-6.5	7	1814	Oct 5th 11:06 am Rafapa
Installation of nwchem 6.3 version	4	1536	Oct 2nd 3:50 am Nisheal
optimization with light atoms	5	1632	Sep 29th 9:57 pm P99
Handling of space groups	2	1698	Sep 27th 9:48 am P99
SCS-CCSD optimization	1	1860	Sep 25th 1:40 pm Edoapra
Problem with CCSDT(2)_Q	8	2474	Sep 23rd 1:07 am P99
MO analysis	0	1512	Sep 21st 1:08 pm Extremis
SO-DFT stability	5	1783	Sep 19th 3:27 pm Yjiao03
NWChem 6.5 has been released	0	10598	Sep 15th 11:02 am Karol
NWChem/Blue gene p/DFT/Density Fitting	0	1549	Sep 11th 3:23 am Yury
Nbo	1	1932	Sep 11th 2:29 am Zzdbl520
CRENBL spin-orbit ECP	2	3058	Sep 10th 7:28 pm Yjiao03
How to intelligently define parameters for "disp" in DFT calculation?	0	1228	Sep 9th 9:07 am Kpelzer
New user needing help with NWChem	4	3210	Sep 7th 1:07 am LonelySpooky
EA/IP-EOM-CC Implemented in nwchem?	4	2710	Sep 5th 10:19 am Karol
unable to locate singlet diradical in NWChem	1	1575	Sep 3rd 1:02 pm Edoapra
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference	12	2662	Sep 2nd 8:13 pm Sri4mailing

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