| Thread Title |
Replies |
Views |
Last Action |
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 |
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 |