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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1832 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3909 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Handling of space groups
Started By : P99
2 1423 Sep 27th 9:48 am
P99
SCS-CCSD optimization
Started By : P99
1 1564 Sep 25th 1:40 pm
Edoapra
Problem with CCSDT(2)_Q
Started By : P99
8 2034 Sep 23rd 1:07 am
P99
MO analysis
Started By : Extremis
0 1299 Sep 21st 1:08 pm
Extremis
SO-DFT stability
Started By : Yjiao03
5 1561 Sep 19th 3:27 pm
Yjiao03
NWChem 6.5 has been released
Started By : Karol
0 10402 Sep 15th 11:02 am
Karol
NWChem/Blue gene p/DFT/Density Fitting
Started By : Yury
0 1374 Sep 11th 3:23 am
Yury
Nbo
Started By : Zzdbl520
1 1730 Sep 11th 2:29 am
Zzdbl520
CRENBL spin-orbit ECP
Started By : Yjiao03
2 2624 Sep 10th 7:28 pm
Yjiao03
How to intelligently define parameters for "disp" in DFT calculation?
Started By : Kpelzer
0 1040 Sep 9th 9:07 am
Kpelzer
New user needing help with NWChem
Started By : LonelySpooky
4 2635 Sep 7th 1:07 am
LonelySpooky
EA/IP-EOM-CC Implemented in nwchem?
Started By : Cmjohns6
4 2403 Sep 5th 10:19 am
Karol
unable to locate singlet diradical in NWChem
Started By : Rana
1 1402 Sep 3rd 1:02 pm
Edoapra
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference
Started By : Sri4mailing
12 2397 Sep 2nd 8:13 pm
Sri4mailing
Using Fragment Guess to get coupling between MOs?
Started By : Cmjohns6
0 1492 Sep 1st 1:18 pm
Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!
Started By : Neo
1 1545 Aug 26th 8:30 am
Neo
Geometry optimizations that won't converge
Started By : Kpelzer
5 1571 Aug 25th 10:24 am
Kpelzer
Vectors for further analysis
Started By : Vojtech.vlcek
0 1054 Aug 24th 10:32 am
Vojtech.vlcek
Problem with DIRDYVTST calculation
Started By : Rana
6 1560 Aug 23rd 7:25 am
Rana
Link NBO to NWCHEM 6.3
Started By : Nazari
0 1395 Aug 16th 9:22 pm
Nazari
SCF convergence failure
Started By : Chun-hung.wang
0 1275 Aug 12th 3:38 pm
Chun-hung.wang
QA tests failing
Started By : Eberrios
4 1999 Aug 12th 12:10 pm
Eberrios
Difference between ESP from task property and task esp
Started By : Mime
0 1126 Aug 11th 6:12 am
Mime
Hamiltonian Matrix Elements and Overlap Matrix Elements
Started By : Cmjohns6
0 1478 Aug 9th 3:15 pm
Cmjohns6
About NBO-6.0
Started By : Rintontin
0 1747 Jul 31st 6:21 pm
Rintontin

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