Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3133 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5234 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2522232425262728Next 25Last
Thread Title Replies Views Last Action
cdetci_profprint=.true. (default)
Started By : Vladimir
0 1399 Oct 18th 8:40 am
Vladimir
Task Raman - nfreq failed
Started By : Ryetschye
0 1349 Oct 15th 2:46 am
Ryetschye
Bug in ESP radii using ECPs
Started By : Mpjohans
2 1310 Oct 14th 6:46 am
P99
no way to perform TS search
Started By : Jbaltrus
1 1439 Oct 11th 12:18 pm
Jbaltrus
CCSD Converge issue for large CCSD(T) Jobs
Started By : Zfang
0 1285 Oct 10th 7:57 am
Zfang
Error Message from Task 0:: No such file or directory1 23
Started By : Sri4mailing
32 37375 Oct 6th 9:53 pm
Sri4mailing
NWChem error while using geometry:actlist: you are using HF or an untested DF
Started By : Ryetschye
0 1102 Oct 6th 12:57 pm
Ryetschye
CCSD(T) job error message
Started By : Zfang
2 1342 Oct 6th 12:43 pm
Zfang
Problem with unit cell optimization
Started By : Yenner
0 1412 Oct 5th 7:45 pm
Yenner
Can spherical and cartesian basis sets be mixed in an NWChem calculation?
Started By : Wdlaidig
1 1373 Oct 2nd 1:56 pm
Edoapra
COSMO in NWCHEM 6.5
Started By : Sarom
2 1216 Oct 1st 1:33 pm
Sarom
Difference for functional with dispersion correction between NWCHEM 6.1 and 6.3
Started By : Guillaume
2 1659 Sep 30th 2:32 am
Guillaume
MP2 Gradients Failing with Ghost Atoms
Started By : MSalim
4 1197 Sep 29th 3:51 pm
Edoapra
Help understanding file structure of NWChem
Started By : Wdlaidig
2 1554 Sep 29th 1:46 pm
Edoapra
Bug in running of IP/EA CCSD?
Started By : Cmjohns6
2 1556 Sep 29th 10:14 am
Cmjohns6
Different results between using DFT and SCF reference WF in TCE CCSD(T)
Started By : Niu
2 1347 Sep 25th 5:12 pm
Karol
VENUS/NWChem Job crashes util_jacobi: ierr 1
Started By : Bdatko
0 1856 Sep 24th 1:17 pm
Bdatko
obtaining wavefunctions from dplot
Started By : Jaapkroe
1 1513 Aug 31st 9:28 am
Mpjohans
Incomplete EXTRA_LIBS for LINUX64 target
Started By : Vladimir
3 1705 Aug 30th 11:25 pm
Vladimir
Continue calculations from last point
Started By : Ifrit
1 1347 Aug 28th 3:15 am
Mpjohans
Raman intensities in version 6.1 and 6.3 differ
Started By : ThomasNiehaus
3 1682 Aug 26th 5:06 pm
Niri
solvent in MD
Started By : Saeed1
0 1260 Aug 24th 7:37 am
Saeed1
peneteration
Started By : Saeed1
0 1234 Aug 24th 7:31 am
Saeed1
a
Started By : Saeed1
0 888 Aug 24th 7:23 am
Saeed1
ccsd: nopen is not zero 1
Started By : Allen
2 1537 Aug 23rd 7:39 pm
Mernst

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2522232425262728Next 25Last



Who's here now Members 0 Guests 3 Bots/Crawler 5


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC