NWChem functionality

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Topics related to current and future functionality of NWChem
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Announcement's Replies Views Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
Started By : Edoapra
0 1664 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13601 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
SR wPBE functional
Started By : G123
2 711 Nov 30th 11:33 am
G123
PSPW Car-Parrinello Recentering Starting Geometery
Started By : Mdsimulationgroup
0 531 Nov 22nd 5:09 pm
Mdsimulationgroup
NEB Calculations in NWChem
Started By : Mixedcrown221181
1 727 Nov 22nd 3:51 am
Ohlincha
ecce.out only contains guess energy levels
Started By : Ohlincha
1 622 Nov 22nd 3:42 am
Ohlincha
NWPW Lattice Units?
Started By : Mdsimulationgroup
4 614 Nov 20th 1:31 pm
Bylaska
PBE+CCSD calculation_memory problem
Started By : G123
3 825 Oct 9th 11:26 am
Edoapra
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
3 1651 Sep 14th 7:30 pm
Xiongyan21
cam-b3lyp with Grimme's D3 dispersion
Started By : Mdsimulationgroup
0 724 Sep 1st 2:08 pm
Mdsimulationgroup
Energy decomposition analysis
Started By : Ohlincha
0 1408 Aug 23rd 5:55 am
Ohlincha
Error!
Started By : Fatemeh
0 679 Aug 14th 12:25 am
Fatemeh
e-density
Started By : Fatemeh
1 621 Aug 8th 12:19 am
Fatemeh
Methodology for calculating J-couplings
Started By : Raul l
4 2189 Aug 6th 1:39 am
Inaki morao
dipole moment
Started By : Fatemeh
3 877 Jul 23rd 6:22 am
Fatemeh
Plane Wave Density Functional Theory and relativistic effects
Started By : Miro ilias
0 560 Jul 19th 1:02 pm
Miro ilias
fconly for spin-spin coupling
Started By : Ericj
0 632 Jul 10th 9:52 am
Ericj
Raman Intensity String Length
Started By : Rsiegel
1 840 Jun 14th 4:13 am
Sean
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 585 May 14th 4:56 am
Leahbd
ESP module
Started By : Chloe
8 3878 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 791 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 1475 May 4th 5:53 pm
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2868 May 3rd 10:34 pm
Neo
4c integrals
Started By : Mdvorak
1 621 Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 782 Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 681 Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 861 Feb 19th 3:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 3582 Feb 7th 10:53 am
Edoapra

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