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SODFT singlepoint fluctuations
Started By : Sp
1 15 Sep 18th 3:31 pm
Edoapra
Running NWChem
Error compiling NWChem 6.8 on Titan
Started By : Mooresv
2 24 Sep 18th 3:31 pm
Edoapra
Compiling NWChem
Bad Website Certificate
Started By : Argon
2 26 Sep 18th 2:10 pm
Edoapra
General BSE Topics
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
3 229 Sep 14th 7:30 pm
Xiongyan21
NWChem functionality
Frequency Analysis Grid Density Problem
Started By : Sparks
9 94 Sep 13th 9:59 am
Edoapra
Running NWChem
cam-b3lyp with Grimme DFT-D3
Started By : Mdsimulationgroup
1 67 Sep 4th 12:03 pm
Edoapra
Running NWChem
Upload Problem
Started By : MZ
4 128 Aug 27th 4:11 am
Reeming
General BSE Topics
DIIS turns off after iteration 300
Started By : GenomZ
6 69 Aug 23rd 2:59 am
GenomZ
Running NWChem
*
Started By : Isabelleapo
3 100 Aug 21st 6:09 am
Isabelleapo
Running NWChem
DFT optimized failed and Bad termination exit code 255
Started By : Sophia.sagala
4 92 Aug 20th 10:52 am
Jwkeller
Running NWChem
run ccsdt error
Started By : Yangli12
6 203 Aug 7th 11:23 pm
Xiongyan21
Running NWChem
Methodology for calculating J-couplings
Started By : Raul l
4 1334 Aug 6th 1:39 am
Inaki morao
NWChem functionality
BSSE with ECP
Started By : Marcel
2 93 Aug 1st 7:16 am
Marcel
Running NWChem
integration grid in Hessian/frequencies task
Started By : Marcof
1 82 Jul 30th 9:50 am
Edoapra
Running NWChem
Current QA test validation results
Started By : Mjf
1 89 Jul 27th 10:02 am
Edoapra
Running NWChem
Profiling Nwchem 6.8 (with score-p)
Started By : Pavn
2 126 Jul 23rd 4:20 pm
Edoapra
Compiling NWChem
txs_error called
Started By : Ryan81
2 87 Jul 21st 7:06 am
Ryan81
Running NWChem
ARMCI DASSERT fail
Started By : Pavn
2 134 Jul 18th 10:35 am
Pavn
Running NWChem
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 124 Jul 7th 8:06 am
Orestis
General Topics
(Solved) NMR: hnd_rysnod: root not found
Started By : Raul l
2 192 Jul 3rd 8:02 am
Raul l
Running NWChem
imaginary frequency with MP2 freq calculation
Started By : Aja134
2 118 Jul 1st 11:12 pm
Aja134
Running NWChem
(Solved) H2O PBE J-coupling incorrect
Started By : Raul l
2 116 Jun 25th 7:16 pm
Raul l
Running NWChem
DFT: Convergence issue CH4
Started By : Mbarbry
4 130 Jun 25th 5:50 pm
Edoapra
Running NWChem
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
14 271 Jun 22nd 9:06 pm
Xiongyan21
Running NWChem
Error in compiliation on GPU
Started By : Prasanthi
1 194 Jun 18th 3:54 pm
Edoapra
Compiling NWChem
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