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Announcement's Replies Views Last Action
NWChem 6.5 has been released
Started By : Karol
0 5269 Sep 15th 11:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 7669 Feb 2nd 7:13 pm
Bert

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Thread Title Replies Views Last Action
New user needing help with NWChem
Started By : LonelySpooky
4 503 Sep 7th 1:07 am
LonelySpooky
EA/IP-EOM-CC Implemented in nwchem?
Started By : Cmjohns6
4 621 Sep 5th 10:19 am
Karol
unable to locate singlet diradical in NWChem
Started By : Rana
1 391 Sep 3rd 1:02 pm
Edoapra
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference
Started By : Sri4mailing
12 611 Sep 2nd 8:13 pm
Sri4mailing
Using Fragment Guess to get coupling between MOs?
Started By : Cmjohns6
0 367 Sep 1st 1:18 pm
Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!
Started By : Neo
1 395 Aug 26th 8:30 am
Neo
Geometry optimizations that won't converge
Started By : Kpelzer
5 479 Aug 25th 10:24 am
Kpelzer
Vectors for further analysis
Started By : Vojtech.vlcek
0 209 Aug 24th 10:32 am
Vojtech.vlcek
Problem with DIRDYVTST calculation
Started By : Rana
6 439 Aug 23rd 7:25 am
Rana
Link NBO to NWCHEM 6.3
Started By : Nazari
0 374 Aug 16th 9:22 pm
Nazari
QA tests failing
Started By : Eberrios
4 508 Aug 13th 4:17 pm
Mernst
SCF convergence failure
Started By : Chun-hung.wang
0 305 Aug 12th 3:38 pm
Chun-hung.wang
Difference between ESP from task property and task esp
Started By : Mime
0 293 Aug 11th 6:12 am
Mime
Hamiltonian Matrix Elements and Overlap Matrix Elements
Started By : Cmjohns6
0 381 Aug 9th 3:15 pm
Cmjohns6
About NBO-6.0
Started By : Rintontin
0 455 Jul 31st 6:21 pm
Rintontin
Why does nwchem give different results from Molpro does?
Started By : Zfang
9 541 Jul 31st 2:08 pm
Zfang
error in installing
Started By : Lovi
6 588 Jul 27th 2:25 pm
Mernst
DPlot: movecs_read_header failed
Started By : Aggie2015
2 450 Jul 23rd 9:50 am
Aggie2015
What is xc hfexch ?
Started By : Nazarov
0 394 Jul 13th 9:59 pm
Nazarov
rodft, frequency calculation
Started By : Sujitha
5 591 Jul 10th 9:53 am
Edoapra
MP2 density in gaussian cube format
Started By : Kgk
4 647 Jul 8th 12:55 am
Kgk
How to make geometry optimization calculation faster
Started By : Chun-hung.wang
2 506 Jul 5th 9:50 pm
Chun-hung.wang
Convergence issues with DFT
Started By : Moretto
2 469 Jul 3rd 1:21 am
Moretto
Reproducibility issue with SODFT
Started By : Faycal
3 751 Jun 22nd 2:09 am
Mernst
excited state electron densities from RT TDDFT
Started By : Perkinsj
0 331 Jun 10th 9:30 am
Perkinsj

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