General Topics

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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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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
Output eigenvectors/eigenfunctions in band calculations.
1 1958 Nov 6th 4:50 pm
Bylaska
PDOS for clusters
3 3134 Nov 6th 10:50 am
Edoapra
ecce error: Parent project selection for import not recognized.
2 2185 Nov 1st 11:51 am
Himadride
Can NWChem source file be downloaded?
1 2171 Oct 24th 8:25 pm
Edoapra
How to plot CD spectra ?
1 2381 Oct 16th 10:44 pm
Niri

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