NWChem functionality

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1363 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
nike air max 97 womens
Started By : Kuajingshu
0 2 Sep 19th 9:03 pm
Kuajingshu
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
3 221 Sep 14th 7:30 pm
Xiongyan21
cam-b3lyp with Grimme's D3 dispersion
Started By : Mdsimulationgroup
0 43 Sep 1st 2:08 pm
Mdsimulationgroup
Energy decomposition analysis
Started By : Ohlincha
0 68 Aug 23rd 5:55 am
Ohlincha
Error!
Started By : Fatemeh
0 71 Aug 14th 12:25 am
Fatemeh
e-density
Started By : Fatemeh
1 100 Aug 8th 12:19 am
Fatemeh
Methodology for calculating J-couplings
Started By : Raul l
4 1334 Aug 6th 1:39 am
Inaki morao
dipole moment
Started By : Fatemeh
3 114 Jul 23rd 6:22 am
Fatemeh
Plane Wave Density Functional Theory and relativistic effects
Started By : Miro ilias
0 83 Jul 19th 1:02 pm
Miro ilias
fconly for spin-spin coupling
Started By : Ericj
0 104 Jul 10th 9:52 am
Ericj
Raman Intensity String Length
Started By : Rsiegel
1 125 Jun 14th 4:13 am
Sean
SCAN meta-GGA functional
Started By : Bsantra
1 184 May 24th 8:11 am
Niri
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 90 May 14th 4:56 am
Leahbd
ESP module
Started By : Chloe
8 3064 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 183 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 278 May 4th 5:53 pm
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2305 May 3rd 10:34 pm
Neo
4c integrals
Started By : Mdvorak
1 145 Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 198 Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 175 Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 252 Feb 19th 3:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2778 Feb 7th 10:53 am
Edoapra
Raman plot point number
Started By : Faklerus
6 403 Feb 1st 10:41 am
Edoapra
M06-2x and DISP v.4
Started By : Lmihael
3 454 Dec 4th 1:40 pm
Edoapra
Temperature Accelerated Molecular Dynamics
Started By : Silvio
0 227 Nov 10th 10:32 pm
Silvio

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