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
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
Using Fragment Guess to get coupling between MOs?
 0 1683 Sep 1st 1:18 pm
Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!
 1 1698 Aug 26th 8:30 am
Neo
Geometry optimizations that won't converge
 5 1781 Aug 25th 10:24 am
Kpelzer
Vectors for further analysis
 0 1267 Aug 24th 10:32 am
Vojtech.vlcek
Problem with DIRDYVTST calculation
 6 2502 Aug 23rd 7:25 am
Rana
Link NBO to NWCHEM 6.3
 0 1608 Aug 16th 9:22 pm
Nazari
SCF convergence failure
 0 1496 Aug 12th 3:38 pm
Chun-hung.wang
QA tests failing
 4 2336 Aug 12th 12:10 pm
Eberrios
Difference between ESP from task property and task esp
 0 1260 Aug 11th 6:12 am
Mime

Forum >> NWChem's corner >> General Topics
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