NWChem functionality
Announcement's
Replies
Views
Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
0
9996
Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
0
12333
Dec 14th 2:51 pm
Edoapra
Jump to page
1
Prev 25
2
3
4
5
6
7
8
Next 25
Last
Thread Title
Replies
Views
Last Action
SR wPBE functional
2
639
Nov 30th 11:33 am
G123
PSPW Car-Parrinello Recentering Starting Geometery
0
489
Nov 22nd 5:09 pm
Mdsimulationgroup
NEB Calculations in NWChem
1
672
Nov 22nd 3:51 am
Ohlincha
ecce.out only contains guess energy levels
1
571
Nov 22nd 3:42 am
Ohlincha
NWPW Lattice Units?
4
555
Nov 20th 1:31 pm
Bylaska
PBE+CCSD calculation_memory problem
3
742
Oct 9th 11:26 am
Edoapra
COSMO directive failing in NWChem Revision 29289
3
1595
Sep 14th 7:30 pm
Xiongyan21
cam-b3lyp with Grimme's D3 dispersion
0
673
Sep 1st 2:08 pm
Mdsimulationgroup
Energy decomposition analysis
0
1290
Aug 23rd 5:55 am
Ohlincha
Error!
0
631
Aug 14th 12:25 am
Fatemeh
e-density
1
565
Aug 8th 12:19 am
Fatemeh
Methodology for calculating J-couplings
4
2100
Aug 6th 1:39 am
Inaki morao
dipole moment
3
810
Jul 23rd 6:22 am
Fatemeh
Plane Wave Density Functional Theory and relativistic effects
0
523
Jul 19th 1:02 pm
Miro ilias
fconly for spin-spin coupling
0
590
Jul 10th 9:52 am
Ericj
Raman Intensity String Length
1
766
Jun 14th 4:13 am
Sean
Screened Range-Separated Hybrid Functional
0
541
May 14th 4:56 am
Leahbd
ESP module
8
3788
May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
1
737
May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
2
1342
May 4th 5:53 pm
Xiongyan21
Grid specification for dummy atoms
3
2804
May 3rd 10:34 pm
Neo
4c integrals
1
578
Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
1
713
Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
0
623
Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
2
777
Feb 19th 3:29 am
Sparks
Forum
>>
NWChem's corner
>> NWChem functionality
Jump to page
1
Prev 25
2
3
4
5
6
7
8
Next 25
Last