NWChem functionality

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Forum >> NWChem's corner >> NWChem functionality

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

Forum >> NWChem's corner >> NWChem functionality

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