NWChem functionality

From NWChem

Topics related to current and future functionality of NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 798 Dec 14th 2:51 pm
Edoapra

Jump to page 12345678Next 25Last
Thread Title Replies Views Last Action
SCAN meta-GGA functional
Started By : Bsantra
0 23 May 14th 3:36 pm
Bsantra
Screened Range-Separated Hybrid Functional
Started By : Leahbd
0 13 May 14th 4:56 am
Leahbd
ESP module
Started By : Chloe
8 2877 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 52 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
Started By : Cma46
2 138 May 4th 5:53 pm
Xiongyan21
COSMO directive failing in NWChem Revision 29289
Started By : Lrdev
2 104 May 4th 12:25 am
Xiongyan21
Grid specification for dummy atoms
Started By : Bmoore17
3 2198 May 3rd 10:34 pm
Neo
4c integrals
Started By : Mdvorak
1 46 Apr 18th 10:38 am
Edoapra
Units of DPLOT Cube Output
Started By : Philly GT
1 68 Mar 30th 9:47 am
Edoapra
mepgs and MCSCF
Started By : Tunell
0 89 Feb 27th 3:42 am
Tunell
SO-DFT Property Calculation
Started By : Sparks
2 163 Feb 19th 3:29 am
Sparks
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2576 Feb 7th 10:53 am
Edoapra
Raman plot point number
Started By : Faklerus
6 306 Feb 1st 10:41 am
Edoapra
M06-2x and DISP v.4
Started By : Lmihael
3 309 Dec 4th 1:40 pm
Edoapra
Temperature Accelerated Molecular Dynamics
Started By : Silvio
0 150 Nov 10th 10:32 pm
Silvio
Relativistic spin-spin couplings
Started By : Hmsenn
1 240 Nov 2nd 1:53 pm
Niri
cvr_scaling and torsional angle
Started By : Sandile5
0 139 Oct 27th 7:30 pm
Sandile5
Excited States State Dipole Moment with TD-DFT
Started By : DouDou
7 2318 Oct 26th 6:36 am
P.partovi
alpha, beta and omega in LC-wPBEh functional
Started By : Sthomas
0 166 Oct 18th 12:25 pm
Sthomas
Feature request: write entropy to RTDB
Started By : Drhaney
2 363 Aug 9th 7:43 pm
Drhaney
VSCF - cubic and quartic anharmonicities
Started By : Nicole
2 314 Jul 24th 5:39 am
Nicole
uniform background charge in plane-wave calculations?
Started By : Kwaldner
0 456 May 23rd 10:52 am
Kwaldner
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?
Started By : Rangsiman
0 347 May 2nd 8:08 am
Rangsiman
NBOFILE with CCSD(T)
Started By : Dudektria
0 363 Mar 7th 7:01 pm
Dudektria
Problem with optimization
Started By : Dudektria
3 1367 Mar 3rd 5:55 am
Dudektria

Forum >> NWChem's corner >> NWChem functionality
Jump to page 12345678Next 25Last



Who's here now Members 0 Guests 0 Bots/Crawler 2


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC