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Announcement's	Replies	Views	Last Action
Bug in Raman code Started By : Sean	0	373	Feb 2nd 6:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	0	466	Jan 28th 2:50 pm Edoapra
Sticky: NWChem 6.6 available for download Started By : Edoapra	0	3304	Oct 20th 4:12 pm Edoapra

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Thread Title	Replies	Views	Last Action
convergence fails during mp2 calculations Started By : Neo	1	17	Apr 11th 9:38 am Edoapra
Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF Started By : Wuwp	2	1361	Apr 5th 12:17 am Marcel
2 atoms optimization failed Started By : Me s	3	80	Mar 28th 10:01 am Sean
NWChem CML code Started By : Mdd31	4	153	Mar 14th 12:14 pm Drhaney
SMD Error Started By : Mhiranya	0	60	Mar 11th 6:56 pm Mhiranya
a demonstration portal from CSI Started By : Bwang2453	0	51	Mar 11th 11:19 am Bwang2453
Fermi-Amaldi Factor Started By : Wiliamcunha	0	99	Mar 9th 8:22 am Wiliamcunha
FASTESP Started By : P99	1	121	Feb 25th 11:59 am Edoapra
Calculating Density of a system Started By : Michael	0	94	Feb 21st 5:23 am Michael
Effective core potential (ECP): for atoms or for elements? Started By : Hua	0	120	Feb 10th 8:15 am Hua
Polarizability Started By : Michael	3	191	Feb 10th 8:11 am Hua
Using NWChem to generate WFN files Started By : LonelySpooky	0	127	Feb 5th 6:27 pm LonelySpooky
Torsion scanning error Started By : Pdpatel	1	180	Feb 2nd 1:10 pm Pdpatel
SCS-CCSD is bogus on restart Started By : Jhammond	2	164	Jan 25th 2:54 pm Jhammond
problem in running a job in NWCHEM Started By : Satvinder	2	1001	Jan 25th 1:45 pm Bvoigt
graphene isotope Started By : Holyriver6	1	201	Jan 22nd 12:47 pm Sean
Different basis sets for the same atoms/molecules Started By : Lamberts	1	132	Jan 22nd 10:58 am Edoapra
NMR and chemical shifts in NWChem Started By : LonelySpooky	8	321	Jan 19th 4:12 am LonelySpooky
geometry optimazation rings system Started By : YALDA88	0	189	Jan 15th 11:47 pm YALDA88
antiferromagnetic coupling Started By : Sebetci	3	230	Jan 15th 8:03 am YALDA88
This error has not yet been assigned to a category Started By : S.Nasiri	3	337	Jan 4th 11:05 am Giaccai
Please help with MP2 TZ Energy calculations Started By : Rookiequeen	1	265	Dec 24th 12:48 pm Sean
visualization of resulted densities from a rt-tddft calculation Started By : Mh.khodabandeh	0	210	Dec 22nd 3:45 am Mh.khodabandeh
RT-TDDFT basis set convergence Started By : Extremis	7	416	Dec 17th 10:13 am Sean
Difference in ahlrich vtz & tzv Started By : Michael	0	234	Dec 16th 11:18 am Michael

Forum >> NWChem's corner >> General Topics

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