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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1109 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
driver_cart_pmat error for geometry optimization of large system
Started By : Ryan81
1 11 Jul 23rd 5:17 am
Sean
txs_error called
Started By : Ryan81
2 32 Jul 21st 7:06 am
Ryan81
ARMCI DASSERT fail
Started By : Pavn
2 61 Jul 18th 10:35 am
Pavn
run ccsdt error
Started By : Yangli12
5 86 Jul 18th 10:33 am
Pavn
How much memory does NWChem need?
Started By : Aja134
0 32 Jul 13th 9:11 am
Aja134
Geometry keyword
Started By : Prsv12
0 30 Jul 12th 11:56 am
Prsv12
Erratic behaviour with multi-node runs
Started By : Orestis
0 21 Jul 12th 8:35 am
Orestis
nwchem runtime difference - single node vs multi-node
Started By : Mukul92
1 62 Jul 11th 6:58 am
Mukul92
(Solved) NMR: hnd_rysnod: root not found
Started By : Raul l
2 106 Jul 3rd 8:02 am
Raul l
imaginary frequency with MP2 freq calculation
Started By : Aja134
2 67 Jul 1st 11:12 pm
Aja134
(Solved) H2O PBE J-coupling incorrect
Started By : Raul l
2 60 Jun 25th 7:16 pm
Raul l
DFT: Convergence issue CH4
Started By : Mbarbry
4 81 Jun 25th 5:50 pm
Edoapra
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
14 176 Jun 22nd 9:06 pm
Xiongyan21
About the calculation1
Started By : Greatqi
3 75 Jun 13th 11:10 am
Edoapra
IPCCSD
Started By : Faklerus
6 175 May 31st 5:16 am
Xiongyan21
tce cuda
Started By : Faklerus
3 103 May 30th 3:49 am
Xiongyan21
projecting vectors with SODFT
Started By : Lixpas
2 65 May 25th 1:56 am
Lixpas
Dummy atoms directive in NWChem
Started By : Neo
6 173 May 10th 11:03 pm
Neo
print ci coefficients
Started By : Rhallduc
0 55 May 10th 9:12 am
Rhallduc
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 100 May 5th 5:44 am
Marcel
PDOS calculation with nwchem
Started By : Ghoshnaren13
0 83 May 1st 1:51 am
Ghoshnaren13
Optimized geometry is different from G09 or Quantum espresso.
Started By : Ghoshnaren13
1 211 May 1st 1:48 am
Ghoshnaren13
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 260 Apr 26th 5:10 am
Sean
tce CCSD(t) calculation 6DTS error
Started By : ChemHunter
1 101 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
10 514 Apr 20th 3:12 am
Xiongyan21

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