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
What are the function calls necessary to get basis set and geometry handles?	1	1828	Oct 7th 2:21 pm Niri
strange behavior on Driver module	2	1663	Sep 27th 2:05 am Varnon
A error about: task sodft energy	6	2665	Sep 20th 6:21 pm Edoapra
Run job with ANO-RCC basis set	1	2897	Sep 16th 9:34 am Edoapra
Lowdin population analysis	2	2398	Sep 13th 3:31 pm Mahbub03
failed dft optimize	1	1630	Sep 13th 9:58 am Edoapra
CDFT convergence issue	0	2187	Sep 9th 1:16 pm Mahbub03
Mulliken analysis help	0	3717	Sep 3rd 5:06 am P99
How to get the open shell singlet state (singlet biradical) of ozone (O3)	14	16534	Sep 3rd 3:00 am Shahabnaghavi
Negative Reactants/Products overlap	0	1790	Aug 30th 2:04 pm Mef362
Order of d and f functions in basis	5	1891	Aug 30th 10:00 am Edoapra
Diffuse functions problem	2	2756	Aug 30th 1:14 am Dpetrovic
locking the desired MO configuration	2	2145	Aug 26th 10:41 am Shahabnaghavi
Gaussian basis functions used in NWChem	1	2246	Aug 26th 10:01 am Huub
Output of matrices: format and file	0	1846	Aug 20th 11:59 pm Bob79
About SARC-ZORA basis set	0	2348	Aug 20th 10:20 am Alexx
Error in NEB calculation (release 6.3)	2	2060	Aug 20th 8:24 am Mahbub03
Understanding Gaussian Cube file output by NWChem	3	2906	Aug 19th 3:47 pm Edoapra
moments in MP2	0	1611	Aug 18th 3:14 am P99
Examples/tutorial for TD-DFT?	2	2633	Aug 15th 10:14 am Kpelzer
higher than CCSD(T) ?	0	1916	Aug 15th 2:11 am P99
Regarding timings	8	1801	Aug 14th 11:18 pm Karteek
URL not found	0	1281	Aug 12th 11:10 am Jbaltrus
Fukui calculation	1	1679	Aug 12th 2:03 am Inaki
DFT energy component under COSMO model	1	2015	Jul 22nd 3:53 pm Edoapra
Molecular Orbital Components	1	1953	Jul 22nd 3:26 pm Edoapra

Forum >> NWChem's corner >> General Topics

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