(98) Search Results

From NWChem

Displaying 25 results for: Sean Posts

Forum >> Search >> Sean Posts

Thread Title	Replies	Views	Last Action	Forum
MK-CCSD on Kogence isn't much faster as expected. Started By : Vladimir	3	56	Oct 10th 9:20 am Vladimir	Running NWChem
crystal optimize Started By : Miblyf	1	56	Oct 5th 4:58 am Sean	Running NWChem
input file for iodine compounds Started By : Manu nwchem	1	87	Oct 5th 4:57 am Sean	General Topics
meta-gga tddft Started By : Subrata.jana	1	52	Sep 28th 10:42 am Subrata.jana	General Topics
An error related to the specified geometry in NWPW model Started By : Liuwanqi	1	50	Aug 28th 4:40 am Sean	Running NWChem
Raman plot point number Started By : Faklerus	4	94	Jul 31st 5:59 am Faklerus	NWChem functionality
optimization in qmd problem Started By : Miblyf	1	76	Jul 28th 6:31 am Sean	Running NWChem
VSCF - cubic and quartic anharmonicities Started By : Nicole	2	103	Jul 24th 5:39 am Nicole	NWChem functionality
Failure to converge DFT geometry opt after ~40 steps Started By : Zww9	1	103	Jul 7th 4:10 am Sean	Running NWChem
How to improve the speed of dft optimization of Cu in ecp model Started By : Liuwanqi	4	179	Jun 23rd 2:25 am Liuwanqi	Running NWChem
fractional electron charge Started By : Subrata.jana	1	132	Jun 22nd 6:40 am Subrata.jana	General Topics
Curious about specifying amount of memory for MPI. Started By : Rangsiman	1	136	Jun 20th 4:34 am Sean	Running NWChem
another qmd problem Started By : Miblyf	1	129	Jun 1st 4:44 am Miblyf	Running NWChem
qmd problem Started By : Miblyf	2	142	May 30th 5:39 pm Miblyf	Running NWChem
Constraints on an atom for optimization calculations Started By : Chirag	6	197	May 29th 9:05 am Chirag	Running NWChem
Tips for black box scf convergence Started By : Jhs5rjs	3	827	May 21st 8:56 am Xiongyan21	Running NWChem
about wcut in nwpw_input? Started By : Kwaldner	2	334	May 19th 4:02 pm Bylaska	Feedback
Is it possible to combine FON and the Raman calculations? Started By : AisanahtuE	1	195	Apr 30th 9:34 pm AisanahtuE	General Topics
Spin of excited states from TDDFT Started By : Alvert92	3	168	Apr 21st 5:13 am Sean	Running NWChem
DPLOT in RT-TDDFT Started By : Vinayak	2	192	Apr 8th 3:55 am Vinayak	Running NWChem
How to Set Size of Global Array? Started By : Yliu	4	171	Mar 30th 8:50 pm Yliu	Running NWChem
Problem in running CS2 molecule. Started By : Bikash Patra	2	194	Mar 28th 8:31 am Bikash Patra	General Topics
DFT Energy failure during calculation Started By : Kswkoren	2	251	Mar 17th 5:18 pm Kswkoren	Running NWChem
Why TDDFT doesn't work even after running too long time Started By : Jabed	6	236	Mar 14th 12:14 pm Sean	Running NWChem
Spin contamination for calculations including iron Started By : Rasmus	3	535	Feb 17th 10:47 am Sean	Running NWChem
Jump to page 1234Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC

Search

Navigation

SEARCH

TOOLBOX

LANGUAGES

Forum Menu

(98) Search Results

From NWChem

Toolbox