| Thread Title |
Replies |
Views |
Last Action |
Nwpw band dplot
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0 |
1072 |
Apr 27th 4:52 am
Btam125 |
SODFT ZORA
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2 |
2555 |
Apr 22nd 12:09 pm
Erikm |
Dplot DGEMM parameter error
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2 |
1393 |
Apr 15th 3:06 am
Btam125 |
ARMCI DASSERT fail
|
4 |
1950 |
Apr 15th 3:01 am
Btam125 |
RT-TDDFT restart
|
2 |
1565 |
Apr 13th 4:02 pm
Extremis |
.cube Files (Output for Dplot)
|
10 |
3857 |
Apr 3rd 9:21 am
Sean |
ccCA Energies
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0 |
1333 |
Apr 1st 3:05 pm
Skirkby |
Slow frequency calculation
|
2 |
3079 |
Apr 1st 11:32 am
Mernst |
Error during dplot calculations
|
1 |
1519 |
Mar 30th 9:27 am
Edoapra |
Calculate Properties Only from a Previously Converged Set of Existing Files
|
1 |
1290 |
Mar 25th 10:47 am
Edoapra |
String restart error
|
0 |
1212 |
Mar 20th 1:58 pm
Pdpatel |
DFTB-D in nwchem
|
2 |
4159 |
Mar 16th 3:14 am
Iresh |
Single uranium atom simulation using SARC-ZORA basis
|
0 |
1821 |
Mar 15th 1:04 pm
Alexxx |
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar
|
2 |
2179 |
Mar 10th 2:05 pm
Anup9802 |
Output wavefunction to cubefiles
|
2 |
2049 |
Mar 9th 9:02 pm
Jes060 |
How to write input file when I want to use OP method with NWCHEM? Can anyone give me a detailed
|
2 |
1652 |
Mar 7th 7:16 am
Ezequiel |
SMD (Solvation Model Based on Density) Model
|
6 |
2963 |
Mar 2nd 7:49 pm
Mhiranya |
Problem with nw_spectrum.py
|
3 |
2968 |
Feb 21st 7:20 pm
Mernst |
Getting started with NWChem - Convergence problem
|
3 |
3174 |
Feb 1st 1:03 pm
Mernst |
BSSE energy in presence of other atoms nearby...
|
0 |
1971 |
Jan 15th 4:23 am
Neo |
Old version downloads?
|
1 |
2444 |
Jan 12th 11:30 am
Mernst |
Dispersion with pbe96
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0 |
2811 |
Jan 8th 10:34 am
Nwchemy |
Electron Transfer Modul
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0 |
1817 |
Jan 7th 6:18 am
Leprechaum |
Convergence issue with smear tag
|
7 |
3356 |
Dec 23rd 11:17 am
Edoapra |
Plane-wave DFT problem - unit cell optimization
|
1 |
2270 |
Dec 18th 10:49 am
Chun-hung.wang |