General Topics

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
Problem in getting exchange energy of transition metals.	2	883	Jan 24th 10:32 am Bikash Patra
CDFT fails with error message "CDFT: Unable to improve the multipliers"	1	1125	Jan 20th 9:30 pm Rangsiman
MP2: Counterpoise corrected geometry optimization fails	4	1218	Jan 20th 3:24 pm DSVA
How to fix the issue of error message "movecs_fragment: no. basis function mismatch" ?	4	1249	Jan 19th 7:33 pm Rangsiman
Chelation energy	1	1028	Jan 9th 7:22 am Sean
Chelation energy	0	980	Jan 7th 5:41 pm YuanqingWang
ZORA-NMR calculation did not go forward.	0	960	Dec 29th 7:58 pm NWfmohri
Euler propagator in rt_tddft	2	1125	Dec 28th 4:07 pm Bikash
Magnus propagator rt_tddft	0	896	Dec 28th 3:53 pm Bikash
Symmetry breaking in ZORA-NMR calculations	2	1235	Dec 27th 12:30 am NWfmohri
Singularity in Pulay matrix - what does this error means ?	3	1085	Dec 23rd 7:34 am Sean
degenerate HOMO-LUMO and symmetry	2	2262	Dec 9th 3:50 pm Jiachen
Vibrational frequencies (comparison with Gaussian 09)	0	1606	Dec 2nd 7:41 am Vedran Ivanic
Error message in "dft_3cincor"	3	1249	Nov 29th 12:41 pm Edoapra
NMR, ZORA, and SCF convergence	0	1211	Nov 20th 5:57 am Wtransue
User-friendly softwares for NWChem?	1	1330	Nov 18th 10:50 am Edoapra
Hyperfine structure	0	1133	Oct 25th 9:25 am Jacques
ZORA & Memory/Hard Disk Space Problems	1	1821	Oct 24th 2:46 pm Edoapra
lines of tension within a nanostructure	2	1010	Sep 12th 7:39 am Afdemoura
theory vs sptheory	3	1072	Sep 7th 3:25 pm Bjhanson
NMR using TPSS and TPSSh with ZORA	1	1084	Sep 6th 8:47 am Sean
Static electric fields	1	1535	Sep 2nd 8:57 am Cgladue
Pipek-Mezey localization output is not documented	4	1246	Aug 30th 11:57 am Den59
How to use semiempirical methods?	0	1466	Aug 29th 10:39 pm Daniel Alher
Access DFT solution coefficients for LCAO from python	9	1930	Aug 29th 1:34 pm Den59

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