Running NWChem

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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
COSMO in NWCHEM 6.5
 2 1367 Oct 1st 1:33 pm
Sarom
Difference for functional with dispersion correction between NWCHEM 6.1 and 6.3
 2 1858 Sep 30th 2:32 am
Guillaume
MP2 Gradients Failing with Ghost Atoms
 4 1365 Sep 29th 3:51 pm
Edoapra
Help understanding file structure of NWChem
 2 1755 Sep 29th 1:46 pm
Edoapra
Bug in running of IP/EA CCSD?
 2 1781 Sep 29th 10:14 am
Cmjohns6
Different results between using DFT and SCF reference WF in TCE CCSD(T)
 2 1546 Sep 25th 5:12 pm
Karol
VENUS/NWChem Job crashes util_jacobi: ierr 1
 0 2012 Sep 24th 1:17 pm
Bdatko
obtaining wavefunctions from dplot
 1 1793 Aug 31st 9:28 am
Mpjohans
Incomplete EXTRA_LIBS for LINUX64 target
 3 1885 Aug 30th 11:25 pm
Vladimir
Raman intensities in version 6.1 and 6.3 differ
 3 1872 Aug 26th 5:06 pm
Niri
solvent in MD
 0 1418 Aug 24th 7:37 am
Saeed1
peneteration
 0 1400 Aug 24th 7:31 am
Saeed1
a
 0 1032 Aug 24th 7:23 am
Saeed1
ccsd: nopen is not zero 1
 2 1761 Aug 23rd 7:39 pm
Mernst
shake
 0 1267 Aug 20th 7:49 am
Fariba4
periodic boundary conditions (pbc)
 0 1235 Aug 20th 7:04 am
Fariba4
Reference coordinates
 0 1170 Aug 12th 12:00 am
Fariba4
Using SGE's TMPDIR?
 1 1729 Aug 11th 1:47 pm
Edoapra
Error starting first running
 2 7465 Aug 6th 12:27 pm
Yenner
xdm and total energy
 2 1996 Jul 24th 3:34 am
Heully
Question about charge difference density and transition density!
 4 3722 Jul 23rd 9:43 am
Edoapra
a problem in memory settings
 0 986 Jul 20th 5:26 am
Shiraw
DFT Frequency Analysis failing on Infiniband Cluster
 9 2727 Jul 18th 4:23 pm
Edoapra
Running QM/MM calculation by charmm on ubuntu 12.04
 10 4527 Jul 16th 7:06 pm
Zll
NEB problem
 4 1875 Jul 15th 8:36 am
Pavlo4

Forum >> NWChem's corner >> Running NWChem
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