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Dummy atoms directive in NWChem
Started By : Neo
6 69 May 10th 11:03 pm
Neo
Running NWChem
How to download old versions of NWCHEM?
Started By : Xinyma
3 54 May 10th 6:53 pm
CatrionaLozano52
General Topics
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 50 May 7th 9:22 am
Edoapra
NWChem functionality
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 40 May 5th 5:44 am
Marcel
Running NWChem
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 104 May 4th 12:25 am
Xiongyan21
NWChem functionality
Grid specification for dummy atoms
Started By : Bmoore17
3 2196 May 3rd 10:34 pm
Neo
NWChem functionality
Problem in CRENBL ECP (Iron) data in EMSL
Started By : Hideo
3 73 Apr 30th 1:44 am
Hideo
General BSE Topics
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 144 Apr 26th 5:10 am
Sean
Running NWChem
Compiling NWChem 6.8.1 on ARCHER using Intel
Started By : Gh3orghiu
5 70 Apr 25th 10:58 am
Gh3orghiu
Compiling NWChem
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 71 Apr 22nd 3:22 pm
Xinyma
General Topics
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 83 Apr 20th 9:52 am
EmilioMac
General Topics
4c integrals
Started By : Mdvorak
1 46 Apr 18th 10:38 am
Edoapra
NWChem functionality
A request for help1 2
Started By : Jason York
19 2437 Apr 16th 4:50 pm
4rhanes
Compiling NWChem
ANO-RCC basis set for Yb
Started By : EmilioMac
3 187 Apr 4th 7:30 am
EmilioMac
General Topics
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018
3 97 Apr 3rd 10:01 am
Edoapra
Running NWChem
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu
1 157 Apr 2nd 10:01 am
Edoapra
Compiling NWChem
Problems running NWChem 6.5
Started By : Giaccai
2 121 Apr 2nd 7:07 am
Giaccai
Running NWChem
Units of DPLOT Cube Output
Started By : Philly GT
1 68 Mar 30th 9:47 am
Edoapra
NWChem functionality
Testing NWChem installation for correctness
Started By : Luiceur
4 268 Mar 29th 7:45 am
Chrisn77
Compiling NWChem
Sulfur Correlation Consistent Inconsistencies
Started By : JonathonM.
2 138 Mar 29th 5:52 am
JonathonM.
General BSE Topics
Compiling NWChem Ubuntu 17.10
Started By : Diego paschoal
2 252 Mar 28th 3:27 am
Rangsiman
Compiling NWChem
Compiling NWChem fails on Ubuntu 16.04
Started By : Anhvt89
1 140 Mar 26th 4:27 pm
Edoapra
Compiling NWChem
theory not specified dplot
Started By : Ac287
2 103 Mar 22nd 10:18 am
Ac287
Running NWChem
Trouble with negative frequencies
Started By : ChemHunter
14 480 Mar 14th 3:01 am
Sparks
Running NWChem
Using python within nwchem to scan the geometry
Started By : Mkelley
6 1328 Mar 8th 2:46 am
Rpsahu151
Running NWChem
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