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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	2526	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
COSMO and UHF? Started By : Beckmw	6	29	May 24th 4:08 pm Beckmw
Frequency calculation for C70 fullerene crashing, do not understand error Started By : Kpelzer	2	41	May 23rd 7:36 am Kpelzer
DFT energy component under COSMO model Started By : Jtravers	0	54	May 15th 9:02 pm Jtravers
CCSD iterations does not converge Started By : Rusun	3	104	May 13th 11:00 pm Rusun
Calculating delta G from frequency calculation. Started By : Beckmw	4	75	May 13th 3:46 pm Beckmw
molecular orbitals conversion from .movecs to .txt Started By : Wl	2	82	May 13th 7:51 am Wl
optimization in DFT-D3 Started By : P99	3	70	May 7th 12:13 pm Bert
NWChem 7 to be released soon? Started By : Jean	1	79	May 6th 5:34 pm Niri
VSCF PES for a linear molecule Started By : Andrewb	2	111	May 3rd 12:13 am Andrewb
band structure Started By : Makhyoun	2	89	May 2nd 4:20 pm Makhyoun
pspw_dplot Started By : Makhyoun	2	76	May 2nd 4:16 pm Makhyoun
Error in input file: Started By : Alfcanova	1	66	Apr 30th 9:07 am Bert
doubts in input file: error atomscf Started By : Alfcanova	1	64	Apr 30th 9:05 am Bert
Relativistic basis Started By : Alfcanova	1	64	Apr 30th 9:00 am Bert
How to compute overlap between two wavefunctions in NWChem Started By : Gpilania	2	127	Apr 24th 2:12 pm Gpilania
how to output wavefunctions Started By : Lvjian8596	1	106	Apr 22nd 3:22 pm Bert
units for plane wave cutoffs Started By : Ajpalace	1	102	Apr 22nd 8:05 am Ajpalace
Memory Problem in TDDFT Calculation using NWChem 6.1.1 Started By : Davide68	8	219	Apr 19th 1:46 am Davide68
SODFT ZORA Started By : Mef362	1	160	Apr 10th 8:38 am Bert
DFT-D3 and CGMIN option Started By : Jia	1	176	Apr 8th 1:13 pm Huub
Fermi level relative to ...? Started By : Davisneale	0	103	Apr 8th 6:42 am Davisneale
How do I post messages containing code? Started By : Jwkeller	1	163	Mar 26th 8:59 am Bert
ET module Started By : Mef362	3	218	Mar 8th 12:51 pm Bert
which graphic tools should I choose for the output result of NWchem? Started By : Javacfish	10	2983	Mar 7th 3:06 am P99
post installation problem "0:0:ga_orthog: hard zero:: 1 and ARMCI DASSERT fail. armci.c:ARMCI_Error Started By : Chaitanya	10	529	Mar 6th 11:42 am Huub

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