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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1377 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
nwchem runtime difference - single node vs multi-node
Started By : Mukul92
1 116 Jul 11th 6:58 am
Mukul92
(Solved) NMR: hnd_rysnod: root not found
Started By : Raul l
2 192 Jul 3rd 8:02 am
Raul l
imaginary frequency with MP2 freq calculation
Started By : Aja134
2 118 Jul 1st 11:12 pm
Aja134
(Solved) H2O PBE J-coupling incorrect
Started By : Raul l
2 116 Jun 25th 7:16 pm
Raul l
DFT: Convergence issue CH4
Started By : Mbarbry
4 129 Jun 25th 5:50 pm
Edoapra
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
14 269 Jun 22nd 9:06 pm
Xiongyan21
About the calculation1
Started By : Greatqi
3 120 Jun 13th 11:10 am
Edoapra
IPCCSD
Started By : Faklerus
6 233 May 31st 5:16 am
Xiongyan21
tce cuda
Started By : Faklerus
3 155 May 30th 3:49 am
Xiongyan21
projecting vectors with SODFT
Started By : Lixpas
2 96 May 25th 1:56 am
Lixpas
Dummy atoms directive in NWChem
Started By : Neo
6 246 May 10th 11:03 pm
Neo
print ci coefficients
Started By : Rhallduc
0 87 May 10th 9:12 am
Rhallduc
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 142 May 5th 5:44 am
Marcel
PDOS calculation with nwchem
Started By : Ghoshnaren13
0 142 May 1st 1:51 am
Ghoshnaren13
Optimized geometry is different from G09 or Quantum espresso.
Started By : Ghoshnaren13
1 244 May 1st 1:48 am
Ghoshnaren13
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 346 Apr 26th 5:10 am
Sean
tce CCSD(t) calculation 6DTS error
Started By : ChemHunter
1 146 Apr 23rd 3:58 pm
Karol
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
Started By : Xiongyan21
10 635 Apr 20th 3:12 am
Xiongyan21
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
Started By : Xiongyan21
0 154 Apr 6th 9:05 pm
Xiongyan21
Classical MD prepare not finding default force-field directories?
Started By : Smithmd
0 105 Apr 5th 9:44 am
Smithmd
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018
3 215 Apr 3rd 10:01 am
Edoapra
Problems running NWChem 6.5
Started By : Giaccai
2 236 Apr 2nd 7:07 am
Giaccai
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu
0 28991 Apr 1st 1:29 am
Jskennyu
Incorrect Orbital Plot
Started By : Ryan81
1 300 Mar 23rd 11:40 pm
Yzhang
theory not specified dplot
Started By : Ac287
2 237 Mar 22nd 10:18 am
Ac287
PBC geometry definition
Started By : Augolotti
0 163 Mar 21st 8:26 am
Augolotti

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