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 1090 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 256789101112Next 25Last
Thread Title Replies Views Last Action
problem with compilation
Started By : Anny
5 744 May 11th 11:10 am
Edoapra
How is HOMO-LUMO gap value calculated?
Started By : Rookiequeen
1 802 May 11th 11:04 am
Edoapra
??NYT??????@M ?????UP&
Started By : 8383bmw
0 379 May 9th 10:10 pm
8383bmw
Raman calculations at zero kelvin
Started By : Alarcj
0 602 Apr 27th 11:10 am
Alarcj
LC-wPBE problem
Started By : Yuh515
1 1528 Apr 19th 10:31 am
Niri
unknown SCFTYPE error
Started By : Neo
1 882 Apr 14th 12:38 pm
Edoapra
convergence fails during mp2 calculations
Started By : Neo
2 881 Apr 10th 11:10 pm
Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
Started By : Wuwp
2 2283 Apr 5th 12:17 am
Marcel
2 atoms optimization failed
Started By : Me s
3 666 Mar 28th 10:01 am
Sean
NWChem CML code
Started By : Mdd31
4 731 Mar 14th 12:14 pm
Drhaney
SMD Error
Started By : Mhiranya
0 705 Mar 11th 6:56 pm
Mhiranya
a demonstration portal from CSI
Started By : Bwang2453
1 637 Mar 11th 11:19 am
Bwang2453
Fermi-Amaldi Factor
Started By : Wiliamcunha
0 747 Mar 9th 8:22 am
Wiliamcunha
FASTESP
Started By : P99
1 980 Feb 25th 11:59 am
Edoapra
Calculating Density of a system
Started By : Michael
0 690 Feb 21st 5:23 am
Michael
Effective core potential (ECP): for atoms or for elements?
Started By : Hua
0 934 Feb 10th 8:15 am
Hua
Polarizability
Started By : Michael
3 1184 Feb 10th 8:11 am
Hua
Using NWChem to generate WFN files
Started By : LonelySpooky
0 1004 Feb 5th 6:27 pm
LonelySpooky
Torsion scanning error
Started By : Pdpatel
1 856 Feb 2nd 1:10 pm
Pdpatel
SCS-CCSD is bogus on restart
Started By : Jhammond
2 778 Jan 25th 2:54 pm
Jhammond
problem in running a job in NWCHEM
Started By : Satvinder
2 2543 Jan 25th 1:45 pm
Bvoigt
graphene isotope
Started By : Holyriver6
1 1001 Jan 22nd 12:47 pm
Sean
Different basis sets for the same atoms/molecules
Started By : Lamberts
1 752 Jan 22nd 10:58 am
Edoapra
NMR and chemical shifts in NWChem
Started By : LonelySpooky
8 1572 Jan 19th 4:12 am
LonelySpooky
geometry optimazation rings system
Started By : YALDA88
0 800 Jan 15th 11:47 pm
YALDA88

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 256789101112Next 25Last



Who's here now Members 0 Guests 0 Bots/Crawler 4


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