NWChem functionality

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Topics related to current and future functionality of NWChem
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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1636 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
NWPW Lattice Units?
Started By : Mdsimulationgroup
4 12 Nov 20th 12:31 pm
Bylaska
PBE+CCSD calculation_memory problem
Started By : G123
3 105 Oct 9th 10:26 am
Edoapra
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
3 311 Sep 14th 6:30 pm
Xiongyan21
cam-b3lyp with Grimme's D3 dispersion
Started By : Mdsimulationgroup
0 104 Sep 1st 1:08 pm
Mdsimulationgroup
Energy decomposition analysis
Started By : Ohlincha
0 165 Aug 23rd 4:55 am
Ohlincha
Error!
Started By : Fatemeh
0 137 Aug 13th 11:25 pm
Fatemeh
e-density
Started By : Fatemeh
1 161 Aug 7th 11:19 pm
Fatemeh
Methodology for calculating J-couplings
Started By : Raul l
4 1425 Aug 6th 12:39 am
Inaki morao
dipole moment
Started By : Fatemeh
3 179 Jul 23rd 5:22 am
Fatemeh
Plane Wave Density Functional Theory and relativistic effects
Started By : Miro ilias
0 136 Jul 19th 12:02 pm
Miro ilias
fconly for spin-spin coupling
Started By : Ericj
0 164 Jul 10th 8:52 am
Ericj
Raman Intensity String Length
Started By : Rsiegel
1 192 Jun 14th 3:13 am
Sean
SCAN meta-GGA functional
Started By : Bsantra
1 321 May 24th 7:11 am
Niri
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 135 May 14th 3:56 am
Leahbd
ESP module
Started By : Chloe
8 3150 May 13th 11:13 pm
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 248 May 7th 8:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 356 May 4th 4:53 pm
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2361 May 3rd 9:34 pm
Neo
4c integrals
Started By : Mdvorak
1 196 Apr 18th 9:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 260 Mar 30th 8:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 226 Feb 27th 2:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 311 Feb 19th 2:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2862 Feb 7th 9:53 am
Edoapra
Raman plot point number
Started By : Faklerus
6 468 Feb 1st 9:41 am
Edoapra
M06-2x and DISP v.4
Started By : Lmihael
3 528 Dec 4th 12:40 pm
Edoapra

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