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
InF3 geometry	1	1947	Feb 25th 11:28 am Bert
optimization failed	1	2215	Feb 25th 11:25 am Edoapra
Segmentation fault	2	2694	Feb 25th 11:02 am Edoapra
ARMCI DASSERT fails when running NWCHEM on 512 cores	1	2041	Feb 19th 11:53 am Edoapra
NWChem GPU Modules	3	3004	Feb 12th 3:45 pm Edoapra
How to setup "ecp"?	1	2565	Feb 8th 11:09 am Edoapra
Lower energy with larger basis set	1	2916	Jan 21st 10:33 am Bert
Fractional occupation	2	2636	Jan 21st 6:23 am Vhs
O3LYP and LC-wPBE give different results from G09	3	5134	Jan 17th 1:42 am Beulahsu
Band structure - bad Brillouin zone	4	3943	Jan 11th 3:40 am Pecsabi
dynamical reaction coordinate	1	2295	Dec 17th 6:08 pm Bert
Charge density map problem	1	2526	Dec 17th 12:24 pm Bert
Grid file results question	2	2985	Nov 30th 11:09 am Huub
Grid number question	1	1995	Nov 30th 2:24 am Lmyiop
ESP module source code questions	2	2690	Nov 29th 10:41 am Huub
NWCHEM esp plt file format	1	2347	Nov 28th 10:32 am Bert
Convert the nwchem ESP plt file to the Gaussian cube file	1	2223	Nov 28th 10:27 am Bert
the charge could set to be minus value?	1	1500	Nov 26th 10:24 am Bert
Waht does the "cdft 1 2 charge 1.0" mean?	1	1591	Nov 26th 10:22 am Bert
"sym_movecs_adapt: no significant component?" Error	7	3414	Nov 25th 12:26 am Goranka
strange BSSE energy	1	1535	Nov 18th 8:19 am Bert
Problem in posting on "Running NWCHEM"	1	1586	Nov 14th 2:34 pm Bert
NWCHEM training	1	2000	Nov 14th 12:28 pm Huub
The charge of a certain atom could be set deliberately?	2	1566	Nov 10th 11:18 pm Cwlzju
Question about the application	4	1821	Nov 7th 2:48 pm Dhaminah

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