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bse.pnl.gov replaced by www.basissetexchange.org. Forum closed
Started By : Edoapra
0 270 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2756 Dec 14th 2:51 pm
Edoapra

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Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
Started By : Wuwp
2 2504 Apr 5th 12:17 am
Marcel
2 atoms optimization failed
Started By : Me s
3 865 Mar 28th 10:01 am
Sean
NWChem CML code
Started By : Mdd31
4 916 Mar 14th 12:14 pm
Drhaney
SMD Error
Started By : Mhiranya
0 857 Mar 11th 6:56 pm
Mhiranya
a demonstration portal from CSI
Started By : Bwang2453
1 871 Mar 11th 11:19 am
Bwang2453
Fermi-Amaldi Factor
Started By : Wiliamcunha
0 915 Mar 9th 8:22 am
Wiliamcunha
FASTESP
Started By : P99
1 1212 Feb 25th 11:59 am
Edoapra
Calculating Density of a system
Started By : Michael
0 876 Feb 21st 5:23 am
Michael
Effective core potential (ECP): for atoms or for elements?
Started By : Hua
0 1232 Feb 10th 8:15 am
Hua
Polarizability
Started By : Michael
3 1504 Feb 10th 8:11 am
Hua
Using NWChem to generate WFN files
Started By : LonelySpooky
0 1309 Feb 5th 6:27 pm
LonelySpooky
Torsion scanning error
Started By : Pdpatel
1 1104 Feb 2nd 1:10 pm
Pdpatel
SCS-CCSD is bogus on restart
Started By : Jhammond
2 1033 Jan 25th 2:54 pm
Jhammond
problem in running a job in NWCHEM
Started By : Satvinder
2 3119 Jan 25th 1:45 pm
Bvoigt
graphene isotope
Started By : Holyriver6
1 1209 Jan 22nd 12:47 pm
Sean
Different basis sets for the same atoms/molecules
Started By : Lamberts
1 955 Jan 22nd 10:58 am
Edoapra
NMR and chemical shifts in NWChem
Started By : LonelySpooky
8 2094 Jan 19th 4:12 am
LonelySpooky
geometry optimazation rings system
Started By : YALDA88
0 968 Jan 15th 11:47 pm
YALDA88
antiferromagnetic coupling
Started By : Sebetci
3 1271 Jan 15th 8:03 am
YALDA88
This error has not yet been assigned to a category
Started By : S.Nasiri
3 1756 Jan 4th 11:05 am
Giaccai
Please help with MP2 TZ Energy calculations
Started By : Rookiequeen
1 1127 Dec 24th 12:48 pm
Sean
visualization of resulted densities from a rt-tddft calculation
Started By : Mh.khodabandeh
0 1071 Dec 22nd 3:45 am
Mh.khodabandeh
RT-TDDFT basis set convergence
Started By : Extremis
7 1990 Dec 17th 10:13 am
Sean
Difference in ahlrich vtz & tzv
Started By : Michael
0 1305 Dec 16th 11:18 am
Michael
printing hessian with greater precision
Started By : Jrrustad
6 2665 Dec 10th 2:29 pm
Tsenf

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