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
tce cuda
3 932 May 30th 3:49 am
Xiongyan21
projecting vectors with SODFT
2 624 May 25th 1:56 am
Lixpas
Dummy atoms directive in NWChem
6 2068 May 10th 11:03 pm
Neo
print ci coefficients
0 555 May 10th 9:12 am
Rhallduc
constraints slab fix atom 173 174:698 NW ver 6.6
2 788 May 5th 5:44 am
Marcel
PDOS calculation with nwchem
0 676 May 1st 1:51 am
Ghoshnaren13
Optimized geometry is different from G09 or Quantum espresso.
1 792 May 1st 1:48 am
Ghoshnaren13
Atoms Are Too Close, Please Check your Geometry Input
7 1614 Apr 26th 5:10 am
Sean
tce CCSD(t) calculation 6DTS error
1 640 Apr 23rd 3:58 pm
Karol
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
0 611 Apr 6th 9:05 pm
Xiongyan21
Classical MD prepare not finding default force-field directories?
0 536 Apr 5th 9:44 am
Smithmd
sample qmd input from nwchem official page does not work
3 906 Apr 3rd 10:01 am
Edoapra
Problems running NWChem 6.5
2 830 Apr 2nd 7:07 am
Giaccai
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
0 29629 Apr 1st 1:29 am
Jskennyu
Incorrect Orbital Plot
1 909 Mar 23rd 11:40 pm
Yzhang
theory not specified dplot
2 1208 Mar 22nd 10:18 am
Ac287
PBC geometry definition
0 726 Mar 21st 8:26 am
Augolotti
Is it possible to add pressure in qmd simulation?
0 621 Mar 15th 8:04 pm
Liuwanqi
Trouble with negative frequencies
14 2498 Mar 14th 3:01 am
Sparks
TCE - DIIS
0 738 Mar 9th 11:16 am
Masterluke
Using python within nwchem to scan the geometry
6 2454 Mar 8th 2:46 am
Rpsahu151
Cannot allocate memory
2 1021 Mar 7th 10:53 am
Kyle
ccsd(t) problem
6 1575 Mar 4th 4:55 pm
Xiongyan21
TDDFT QMD with initial coordinates and velocities from different software
4 1128 Feb 28th 6:50 pm
Edoapra
TCE restart on BlueGene/Q
10 1305 Feb 25th 7:18 pm
Xiongyan21

Forum >> NWChem's corner >> Running NWChem
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