NWChem functionality

From NWChem

Topics related to current and future functionality of NWChem

Forum >> NWChem's corner >> NWChem functionality

Announcement's	Replies	Views	Last Action
Bug in Raman code Started By : Sean	0	1919	Feb 2nd 6:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	0	1992	Jan 28th 2:50 pm Edoapra
Sticky: NWChem 6.6 available for download Started By : Edoapra	0	5501	Oct 20th 4:12 pm Edoapra

Jump to page 1Prev 258910Next 25Last

Thread Title	Replies	Views	Last Action
Molekel and Nwchem Ouput Started By : Reoverstreet	1	2126	Mar 8th 10:18 am Bert
DFT-D in nwchem Started By : Strutynski.karol	3	1854	Mar 6th 6:52 am Strutynski.karol
Bulk modulus. Started By : Davis68	2	1612	Feb 1st 8:18 am Davis68
ZORA/SOC/Spin_Orbit PSP? Started By : Davis68	0	1655	Jan 31st 1:56 pm Davis68
Contribution of one atom in specific MO Started By : Maillard	10	2632	Jan 19th 6:52 pm Afonari
Local Density of States in k-space? Started By : Pecsabi	0	1374	Jan 10th 4:07 am Pecsabi
Plotting orbitals Started By : Alessandro.chiesa	5	4900	Dec 5th 11:14 am Bert
Wilson-Amos-Handy method for calculation of NMR shifts Started By : Ohlincha	14	3209	Nov 26th 8:48 pm Ohlincha
NWChem vs Gaussian energies Started By : Clef	4	4140	Nov 21st 12:18 am Clef
Band structure zero energy. Started By : Davis68	0	1345	Nov 12th 1:41 pm Davis68
set orbital occupation number Started By : Tiechong	1	1625	Oct 30th 2:49 pm Bert
spin-orbital potential Started By : Zzdbl520	1	1670	Oct 29th 10:44 am Bert
Potential energy distribution (PED) Started By : Phosa	1	3101	Oct 26th 4:59 pm Bert
Hrp versus Vrp in NWChem Started By : Tiechong	1	1876	Oct 26th 4:42 pm Bert
disp vdw 3 with BP86 Started By : Parksjm	3	3300	Oct 26th 4:37 pm Bert
Thermodinamic analysis for Actinides Started By : Gd	1	1570	Oct 17th 6:30 pm Bert
TDDFT with meta functional Started By : Lsjyppku	1	1459	Oct 11th 3:01 pm Edoapra
Grid specification for dummy atoms Started By : Bmoore17	2	1936	Oct 5th 2:30 pm Bmoore17
Core energy Started By : Chloe	3	1749	Sep 6th 9:03 pm Niri
CPMD Atomic Charge Information Started By : Dbinion	0	1704	Sep 6th 1:23 pm Dbinion
Electron (and hole) transfer between two different Pi-conjugated molecules Started By : Julien ide	2	1990	Sep 5th 3:26 pm Bert
attachment/detachment plots? Started By : Joshvw	1	1596	Sep 2nd 7:55 pm Niri
TDDFT Excited State Mulliken Charge Started By : Ezshay	1	1538	Sep 2nd 7:53 pm Niri
NWChem and Python Started By : Oseledets	2	1816	Sep 1st 5:57 am Marcindulak
wB97X-D Started By : Mef362	1	2247	Aug 23rd 11:21 am Edoapra

Forum >> NWChem's corner >> NWChem functionality

Jump to page 1Prev 258910Next 25Last

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

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

Search

Navigation

SEARCH

TOOLBOX

LANGUAGES

Forum Menu

NWChem functionality

From NWChem

Toolbox