General Topics

From NWChem

General topics related to NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 156 Dec 14th 1:51 pm
Edoapra

Jump to page 1Prev 25567891011Next 25Last
Thread Title Replies Views Last Action
Raman calculations at zero kelvin
Started By : Alarcj
0 462 Apr 27th 10:10 am
Alarcj
LC-wPBE problem
Started By : Yuh515
1 1087 Apr 19th 9:31 am
Niri
unknown SCFTYPE error
Started By : Neo
1 617 Apr 14th 11:38 am
Edoapra
convergence fails during mp2 calculations
Started By : Neo
2 640 Apr 10th 10:10 pm
Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
Started By : Wuwp
2 2080 Apr 4th 11:17 pm
Marcel
2 atoms optimization failed
Started By : Me s
3 560 Mar 28th 9:01 am
Sean
NWChem CML code
Started By : Mdd31
4 600 Mar 14th 11:14 am
Drhaney
SMD Error
Started By : Mhiranya
0 481 Mar 11th 5:56 pm
Mhiranya
a demonstration portal from CSI
Started By : Bwang2453
1 496 Mar 11th 10:19 am
Bwang2453
Fermi-Amaldi Factor
Started By : Wiliamcunha
0 600 Mar 9th 7:22 am
Wiliamcunha
FASTESP
Started By : P99
1 786 Feb 25th 10:59 am
Edoapra
Calculating Density of a system
Started By : Michael
0 506 Feb 21st 4:23 am
Michael
Effective core potential (ECP): for atoms or for elements?
Started By : Hua
0 727 Feb 10th 7:15 am
Hua
Polarizability
Started By : Michael
3 902 Feb 10th 7:11 am
Hua
Using NWChem to generate WFN files
Started By : LonelySpooky
0 774 Feb 5th 5:27 pm
LonelySpooky
Torsion scanning error
Started By : Pdpatel
1 687 Feb 2nd 12:10 pm
Pdpatel
SCS-CCSD is bogus on restart
Started By : Jhammond
2 645 Jan 25th 1:54 pm
Jhammond
problem in running a job in NWCHEM
Started By : Satvinder
2 2161 Jan 25th 12:45 pm
Bvoigt
graphene isotope
Started By : Holyriver6
1 788 Jan 22nd 11:47 am
Sean
Different basis sets for the same atoms/molecules
Started By : Lamberts
1 553 Jan 22nd 9:58 am
Edoapra
NMR and chemical shifts in NWChem
Started By : LonelySpooky
8 1170 Jan 19th 3:12 am
LonelySpooky
geometry optimazation rings system
Started By : YALDA88
0 626 Jan 15th 10:47 pm
YALDA88
antiferromagnetic coupling
Started By : Sebetci
3 775 Jan 15th 7:03 am
YALDA88
This error has not yet been assigned to a category
Started By : S.Nasiri
3 1051 Jan 4th 10:05 am
Giaccai
Please help with MP2 TZ Energy calculations
Started By : Rookiequeen
1 759 Dec 24th 11:48 am
Sean

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 25567891011Next 25Last



Who's here now Members 0 Guests 1 Bots/Crawler 10


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