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 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
Loading the initial geometry from a pdb
1 2710 Oct 11th 2:49 pm
Marat
NWChem Efficiency
4 3445 Oct 5th 12:16 pm
Mef362
LOAD directive to external xyz file
3 2854 Oct 5th 8:46 am
Edoapra
NBO analysis and NWCHEM
1 2469 Oct 3rd 11:13 am
Bert
actlist
3 1911 Oct 2nd 4:49 pm
Niri
NMR NICS
4 4710 Oct 1st 1:38 pm
Bert
Solving for extra Excited States
1 1995 Oct 1st 11:57 am
Karol
Partial charges outside of the atoms center
7 3883 Sep 28th 12:46 pm
Bert
CC optimization and structure retrieval
1 1842 Sep 24th 3:44 pm
Bert
Bond Dissociation Energy
1 2347 Sep 18th 2:14 pm
Bert
Draw electrostatic potential plot using NWCHEM
1 2719 Sep 17th 3:49 pm
Edoapra
How can I get the final optimized coordinate PDB file after molecular mechanics optimization?
1 2481 Sep 12th 3:10 pm
Tps
Output generated from ' print "final vectors analysis" ' does not appear to be normalised
1 2051 Sep 7th 4:23 pm
Edoapra
Internal Coordinates
3 2583 Sep 5th 2:07 pm
Bert
A error about:tddft_diagon: A-B is not positive-definite; try TDA
2 4143 Sep 3rd 7:45 am
Niri
Parallel PES scan
1 2205 Aug 27th 9:37 am
Bert
Vxc expectation value for each orbital
3 2227 Aug 27th 9:24 am
Edoapra

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