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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3248 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5336 Dec 14th 2:51 pm
Edoapra

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Raman Spectrum of carbon chains: How to identify the vibrational modes
Started By : Alarcj
1 1496 Jun 6th 12:54 pm
Alarcj
Segmentation Violation error, status=: 11
Started By : Frank.ramirez
1 838 Jun 3rd 3:43 pm
Frank.ramirez
reference for LC-PBE
Started By : Yuh515
1 1544 May 25th 2:13 pm
Niri
Inline specification of basis set
Started By : Danielreta
2 938 May 20th 3:29 am
Danielreta
bonds and angles energy of unusually chemical compound
Started By : KAZat
1 1045 May 17th 8:54 am
KAZat
Two bugs affecting ZMATRIX directive
Started By : Marcof
2 1351 May 13th 1:36 am
Marcof
problem with compilation
Started By : Anny
5 1151 May 11th 11:10 am
Edoapra
How is HOMO-LUMO gap value calculated?
Started By : Rookiequeen
1 1282 May 11th 11:04 am
Edoapra
??NYT??????@M ?????UP&
Started By : 8383bmw
0 495 May 9th 10:10 pm
8383bmw
Raman calculations at zero kelvin
Started By : Alarcj
0 837 Apr 27th 11:10 am
Alarcj
LC-wPBE problem
Started By : Yuh515
1 2261 Apr 19th 10:31 am
Niri
unknown SCFTYPE error
Started By : Neo
1 1215 Apr 14th 12:38 pm
Edoapra
convergence fails during mp2 calculations
Started By : Neo
2 1250 Apr 10th 11:10 pm
Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
Started By : Wuwp
2 2593 Apr 5th 12:17 am
Marcel
2 atoms optimization failed
Started By : Me s
3 935 Mar 28th 10:01 am
Sean
NWChem CML code
Started By : Mdd31
4 994 Mar 14th 12:14 pm
Drhaney
SMD Error
Started By : Mhiranya
0 919 Mar 11th 6:56 pm
Mhiranya
a demonstration portal from CSI
Started By : Bwang2453
1 948 Mar 11th 11:19 am
Bwang2453
Fermi-Amaldi Factor
Started By : Wiliamcunha
0 994 Mar 9th 8:22 am
Wiliamcunha
FASTESP
Started By : P99
1 1297 Feb 25th 11:59 am
Edoapra
Calculating Density of a system
Started By : Michael
0 946 Feb 21st 5:23 am
Michael
Effective core potential (ECP): for atoms or for elements?
Started By : Hua
0 1341 Feb 10th 8:15 am
Hua
Polarizability
Started By : Michael
3 1669 Feb 10th 8:11 am
Hua
Using NWChem to generate WFN files
Started By : LonelySpooky
0 1421 Feb 5th 6:27 pm
LonelySpooky
Torsion scanning error
Started By : Pdpatel
1 1190 Feb 2nd 1:10 pm
Pdpatel

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