Running NWChem

From NWChem

Topics related to running NWChem

Forum >> NWChem's corner >> Running NWChem

Announcement's	Replies	Views	Last Action
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	1781	Feb 2nd 7:13 pm Bert

Jump to page 1Prev 25456Next 25Last

Thread Title	Replies	Views	Last Action
MA error: MA_init: could not allocate xxxxxxxxxx bytes Started By : Chiensh	5	601	Dec 27th 12:58 pm Guest -
Bad RI-MP2 correlation energies Started By : Shireham	1	312	Dec 22nd 3:51 pm Bert
driver: task_gradient failed Started By : Asanchez	1	331	Dec 14th 3:45 am Marcindulak
junk files: what are they Started By : Marcindulak	3	412	Dec 5th 8:59 am Marcindulak
using old KS orbitals/densities from previous calculations Started By : Adampelzer	3	311	Dec 2nd 5:27 pm Bert
failed to locate shared region Started By : Guest -	2	245	Dec 2nd 5:18 pm Bert
warning: error on integrated density Started By : Guest -	1	320	Dec 2nd 5:16 pm Bert
scf: no. of closed-shell electrons is not even! Started By : Guest -	4	516	Nov 24th 7:57 am Marcindulak
Question on running NWCHem Started By : Guest -	4	398	Nov 24th 1:13 am Guest -
Can NWChem print Fock Matrix corresponding to an input Density Matrix Started By : Guest -	1	231	Nov 23rd 9:38 am Niri
Error?: CAMB3LYP and LC-DFT functionals within the spin-unrestricted TDDFT Started By : Guest -	2	442	Nov 22nd 5:44 am Guest -
Grid for exchange-correlation functionals Started By : Neil	2	294	Nov 19th 1:42 am Neil
Symmetry fudging and degeneracy Started By : Guest -	1	260	Nov 11th 2:29 pm Bert
How to optimize unit cell and geometry using CAM-B3LYP with periodic boundary conditions? Started By : Guest -	1	298	Nov 11th 2:25 pm Bert
error during calculation of spin-spin coupling Started By : Guest -	1	228	Nov 8th 9:52 am Bert
NWChem 6.0 release - QA test issues Started By : Guest -	0	245	Nov 4th 1:49 am Guest -
file_prefix: insufficient space 30 error. Started By : Davis68	2	206	Nov 3rd 4:36 am Davis68
SCF convergence for post SCF calculations Started By : Detaylor	1	299	Nov 2nd 3:07 pm Bert
How to do an unrestrained dft calculation Started By : Neil	1	286	Oct 31st 9:55 am Guest -
Unresolved atom types in fragment Started By : Guest -	0	302	Oct 21st 12:41 pm Guest -
Hang UP Started By : Jarowski	0	338	Oct 18th 5:05 am Jarowski
Optimizing internal coordinates Started By : Guest -	1	277	Oct 11th 4:57 pm Bert
TCE error ival=4 problem Started By : Guest -	10	436	Oct 10th 10:51 am Bert
fatal error in geom_calc_dihedral Started By : Zhangjason	1	280	Oct 5th 1:34 pm Huub van Dam
basis set for Vanadium Started By : Bock788	1	247	Oct 5th 12:52 pm Bert

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 25456Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 2

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

Search

Navigation

SEARCH

TOOLBOX

LANGUAGES

Forum Menu

Running NWChem

From NWChem

Toolbox