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Thread Title Replies Views Last Action Forum
Imposition of constraints did not converge
Started By : Mime
2 8 Nov 17th 2:48 am
Mime
Running NWChem
CPHF Module - ikain not converged
Started By : Sparks
2 31 Nov 15th 2:36 am
Sparks
Running NWChem
trivial date formatting problem in compiling nwchem.F
Started By : Lukeg
1 20 Nov 12th 9:53 am
Edoapra
Compiling NWChem
NWChem NMR calculation fails with "get_dia: nga_create failed g_h11 all " error message
Started By : Tatireddy
2 46 Nov 10th 8:55 pm
Xiongyan21
Running NWChem
dft raman calculation
Started By : Zyzhang
4 41 Nov 8th 2:05 pm
Zyzhang
Running NWChem
Problem building NWChem 6.8.1 on Ubuntu 18.0.4 -- Solved
Started By : Dafemec
2 200 Nov 7th 9:46 am
4rhanes
Compiling NWChem
Segmentation fault in NWChem frequency calculation.
Started By : Zyzhang
9 71 Nov 6th 3:42 pm
Zyzhang
Running NWChem
Install Issues on Windows 101 2
Started By : Hockswender
17 1986 Nov 6th 7:33 am
4rhanes
Compiling NWChem
Contributing problem
Started By : Reeming
5 101 Nov 1st 8:05 am
Reeming
General BSE Topics
mpirun nwchem on Windows Subsystem for Linux?
Started By : Seebol
2 57 Oct 26th 10:02 am
Seebol
Running NWChem
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
7 428 Oct 25th 11:29 am
Edoapra
Feedback
there must be at least two ranks per node
Started By : Jim
4 83 Oct 15th 11:44 am
Edoapra
Running NWChem
PBE+CCSD calculation_memory problem
Started By : G123
3 104 Oct 9th 10:26 am
Edoapra
NWChem functionality
Link to CULGI software package on NWChem website
Started By : Paul
2 93 Oct 2nd 5:10 am
Paul
Feedback
SODFT singlepoint fluctuations
Started By : Sp
1 67 Sep 18th 2:31 pm
Edoapra
Running NWChem
Error compiling NWChem 6.8 on Titan
Started By : Mooresv
2 110 Sep 18th 2:31 pm
Edoapra
Compiling NWChem
Bad Website Certificate
Started By : Argon
2 86 Sep 18th 1:10 pm
Edoapra
General BSE Topics
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
3 310 Sep 14th 6:30 pm
Xiongyan21
NWChem functionality
Frequency Analysis Grid Density Problem
Started By : Sparks
9 169 Sep 13th 8:59 am
Edoapra
Running NWChem
cam-b3lyp with Grimme DFT-D3
Started By : Mdsimulationgroup
1 132 Sep 4th 11:03 am
Edoapra
Running NWChem
DIIS turns off after iteration 300
Started By : GenomZ
6 127 Aug 23rd 1:59 am
GenomZ
Running NWChem
*
Started By : Isabelleapo
3 161 Aug 21st 5:09 am
Isabelleapo
Running NWChem
DFT optimized failed and Bad termination exit code 255
Started By : Sophia.sagala
4 159 Aug 20th 9:52 am
Jwkeller
Running NWChem
run ccsdt error
Started By : Yangli12
6 261 Aug 7th 10:23 pm
Xiongyan21
Running NWChem
Methodology for calculating J-couplings
Started By : Raul l
4 1419 Aug 6th 12:39 am
Inaki morao
NWChem functionality
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