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txs_error called
Started By : Ryan81
2 30 Jul 21st 7:06 am
Ryan81
Running NWChem
Profiling Nwchem 6.8 (with score-p)
Started By : Pavn
1 47 Jul 19th 2:20 pm
Edoapra
Compiling NWChem
ARMCI DASSERT fail
Started By : Pavn
2 60 Jul 18th 10:35 am
Pavn
Running NWChem
run ccsdt error
Started By : Yangli12
5 85 Jul 18th 10:33 am
Pavn
Running NWChem
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 62 Jul 7th 8:06 am
Orestis
General Topics
(Solved) NMR: hnd_rysnod: root not found
Started By : Raul l
2 105 Jul 3rd 8:02 am
Raul l
Running NWChem
imaginary frequency with MP2 freq calculation
Started By : Aja134
2 67 Jul 1st 11:12 pm
Aja134
Running NWChem
(Solved) H2O PBE J-coupling incorrect
Started By : Raul l
2 59 Jun 25th 7:16 pm
Raul l
Running NWChem
DFT: Convergence issue CH4
Started By : Mbarbry
4 79 Jun 25th 5:50 pm
Edoapra
Running NWChem
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
14 174 Jun 22nd 9:06 pm
Xiongyan21
Running NWChem
Error in compiliation on GPU
Started By : Prasanthi
1 121 Jun 18th 3:54 pm
Edoapra
Compiling NWChem
About the calculation1
Started By : Greatqi
3 75 Jun 13th 11:10 am
Edoapra
Running NWChem
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
6 133 Jun 7th 10:48 am
Edoapra
Feedback
Error when compiling NWchem 6.8
Started By : Belliger
1 155 Jun 4th 10:35 am
Edoapra
Compiling NWChem
Dummy atoms directive in NWChem
Started By : Neo
6 173 May 10th 11:03 pm
Neo
Running NWChem
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 114 May 7th 9:22 am
Edoapra
NWChem functionality
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 100 May 5th 5:44 am
Marcel
Running NWChem
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 156 May 4th 12:25 am
Xiongyan21
NWChem functionality
Grid specification for dummy atoms
Started By : Bmoore17
3 2252 May 3rd 10:34 pm
Neo
NWChem functionality
How to download old versions of NWCHEM?
Started By : Xinyma
2 130 May 3rd 2:35 pm
Xinyma
General Topics
Problem in CRENBL ECP (Iron) data in EMSL
Started By : Hideo
3 119 Apr 30th 1:44 am
Hideo
General BSE Topics
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 258 Apr 26th 5:10 am
Sean
Running NWChem
Compiling NWChem 6.8.1 on ARCHER using Intel
Started By : Gh3orghiu
5 177 Apr 25th 10:58 am
Gh3orghiu
Compiling NWChem
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 123 Apr 22nd 3:22 pm
Xinyma
General Topics
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 179 Apr 20th 9:52 am
EmilioMac
General Topics
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