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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1909 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1975 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5478 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 515 Jul 6th 10:21 am
Edoapra
Merz-kollman charges
Started By : Mlozano
0 501 Jun 29th 8:19 pm
Mlozano
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
9 6945 Jun 22nd 9:59 am
Niri
Geometry optimization along one particular axis
Started By : Nwchemy
0 393 Jun 20th 2:34 pm
Nwchemy
How to optimized a metal organic framework with a large ligand?
Started By : Holyriver6
0 331 Jun 18th 1:41 pm
Holyriver6
Geometry optimization with dispersion correction vdw 3
Started By : Danielreta
3 433 Jun 15th 9:39 am
Edoapra
scf convergence fails for Uranium based coordination compounds
Started By : Danielreta
9 519 Jun 10th 6:08 am
Danielreta
Raman Spectrum of carbon chains: How to identify the vibrational modes
Started By : Alarcj
1 525 Jun 6th 12:54 pm
Alarcj
Segmentation Violation error, status=: 11
Started By : Frank.ramirez
1 363 Jun 3rd 3:43 pm
Frank.ramirez
reference for LC-PBE
Started By : Yuh515
1 641 May 25th 2:13 pm
Niri
Inline specification of basis set
Started By : Danielreta
2 357 May 20th 3:29 am
Danielreta
bonds and angles energy of unusually chemical compound
Started By : KAZat
1 460 May 17th 8:54 am
KAZat
Two bugs affecting ZMATRIX directive
Started By : Marcof
2 533 May 13th 1:36 am
Marcof
problem with compilation
Started By : Anny
5 478 May 11th 11:10 am
Edoapra
How is HOMO-LUMO gap value calculated?
Started By : Rookiequeen
1 413 May 11th 11:04 am
Edoapra
??NYT??????@M ?????UP&
Started By : 8383bmw
0 238 May 9th 10:10 pm
8383bmw
Raman calculations at zero kelvin
Started By : Alarcj
0 393 Apr 27th 11:10 am
Alarcj
LC-wPBE problem
Started By : Yuh515
1 915 Apr 19th 10:31 am
Niri
unknown SCFTYPE error
Started By : Neo
1 547 Apr 14th 12:38 pm
Edoapra
convergence fails during mp2 calculations
Started By : Neo
2 555 Apr 10th 11:10 pm
Neo
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
Started By : Wuwp
2 1957 Apr 5th 12:17 am
Marcel
2 atoms optimization failed
Started By : Me s
3 486 Mar 28th 10:01 am
Sean
NWChem CML code
Started By : Mdd31
4 546 Mar 14th 12:14 pm
Drhaney
SMD Error
Started By : Mhiranya
0 428 Mar 11th 6:56 pm
Mhiranya
a demonstration portal from CSI
Started By : Bwang2453
1 435 Mar 11th 11:19 am
Bwang2453

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