General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Help in Z matrix
5 2608 Dec 10th 4:30 am
Faith
how to fix origin?
3 1639 Dec 2nd 4:14 pm
Y.t.azar
Different ECP assignments for the same type of atoms
5 1828 Dec 1st 7:45 am
Niri
Please Help... Script is not working
0 1247 Nov 29th 10:55 am
Grad
ECCE: Number of shell charges doesn't match basis set
0 1576 Nov 22nd 9:27 pm
Galo
center is neither atom nor bq
1 1514 Nov 15th 10:42 am
Grad
Dihedral Parameterization
0 2163 Nov 11th 8:41 am
Grad
RESP
2 2370 Nov 11th 8:28 am
Grad
cgmin and occup
2 11048 Nov 9th 2:36 am
Andreas
How to calculate polarizability
2 3496 Nov 1st 7:02 pm
NWfmohri
NWCHEM 4.5
1 1365 Oct 25th 9:29 am
Grad
Output file Analysis
3 1952 Oct 25th 9:05 am
Grad
NWChem 6.3 PSPW Car-Parrinello Problem
0 1627 Oct 23rd 7:28 am
Frank d
Understanding Gaussian cube output of total density using DPLOT
1 3861 Oct 17th 3:21 pm
Edoapra
plt files from nwchem
5 4267 Oct 17th 6:19 am
Hhg
error dft_inpana: non-integral # of electrons ?
2 1878 Oct 16th 7:34 pm
Mlozano
error about input
4 2041 Oct 16th 7:33 pm
Mlozano
NBO dipole analysis
0 1718 Oct 8th 3:49 am
P99
Charge on each entity
1 1669 Oct 7th 2:23 pm
Niri
What are the function calls necessary to get basis set and geometry handles?
1 1829 Oct 7th 2:21 pm
Niri
strange behavior on Driver module
2 1664 Sep 27th 2:05 am
Varnon
A error about: task sodft energy
6 2666 Sep 20th 6:21 pm
Edoapra
Run job with ANO-RCC basis set
1 2898 Sep 16th 9:34 am
Edoapra
Lowdin population analysis
2 2399 Sep 13th 3:31 pm
Mahbub03
failed dft optimize
1 1631 Sep 13th 9:58 am
Edoapra
CDFT convergence issue
0 2188 Sep 9th 1:16 pm
Mahbub03

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