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Thread Title	Replies	Views	Last Action	Forum
TDDFT plots Started By : Himadride	2	43	May 21st 9:47 pm Himadride	NWChem functionality
hyperfine parameters in nwpw Started By : Dave	1	13	May 20th 4:20 pm Niri	NWChem functionality
DFT problem: Range-separated functionals failing to converge for C70 fullerene Started By : Kpelzer	7	87	May 8th 1:07 pm Kpelzer	Running NWChem
NWChem 7 to be released soon? Started By : Jean	1	68	May 6th 5:34 pm Niri	General Topics
Continue an interrupted Raman run Started By : Afonari	1	222	Feb 25th 12:19 pm Niri	Running NWChem
TDDFT and D2H Started By : Martijn	1	192	Feb 13th 11:44 am Niri	Running NWChem
Are these definitions correct for the functionals I am trying to define? Started By : Beulahsu	6	416	Jan 24th 7:01 pm Niri	General Topics
O3LYP and LC-wPBE give different results from G09 Started By : Beulahsu	3	652	Jan 17th 1:42 am Beulahsu	General Topics
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF Started By : Wuwp	1	295	Oct 24th 12:24 am Niri	General Topics
Load of old vectors failed Started By : Chloe	9	412	Oct 18th 7:02 pm Niri	Running NWChem
How to plot CD spectra ? Started By : FloresA	1	377	Oct 16th 10:44 pm Niri	General Topics
ZORA in nwchem Started By : Guest -	3	759	Oct 16th 8:27 pm Niri	General Topics
actlist Started By : Neerajrai	3	343	Oct 2nd 4:49 pm Niri	General Topics
Core energy Started By : Chloe	3	418	Sep 6th 9:03 pm Niri	NWChem functionality
A error about:tddft_diagon: A-B is not positive-definite; try TDA Started By : Hugh	2	595	Sep 3rd 7:45 am Niri	General Topics
attachment/detachment plots? Started By : Joshvw	1	364	Sep 2nd 7:55 pm Niri	NWChem functionality
TDDFT Excited State Mulliken Charge Started By : Ezshay	1	361	Sep 2nd 7:53 pm Niri	NWChem functionality
Basis Set Library currently offline Started By : Huub	2	694	Aug 27th 2:04 pm Huub	General BSE Topics
Resonance Raman using excited-state gradient Started By : Afonari	1	423	Aug 24th 2:35 pm Niri	General Topics
Orbital swapping problem Started By : Bock788	8	520	Jul 16th 5:46 pm Bert	Running NWChem
TDDFT restart in NWChem 6.1 - bgj_get_scf_dens: could not read mo vectors Started By : Martijn	3	457	Jun 27th 2:48 pm Niri	Running NWChem
how to register on this forum? Started By : Guest -	4	1880	Jun 25th 2:48 pm Bert	General Topics
mcscf:linear dependent AO basis Started By : Adam	3	831	May 21st 1:05 pm Huub	General Topics
Freexing single coordinate geometry optimization Started By : Guest -	4	1014	May 21st 6:26 am Davis68	NWChem functionality
problem with c-dft calculations Started By : Tanguy.vr	2	741	May 12th 5:46 am Shine	Running NWChem
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