General Topics

Announcement's Replies Views Last Action
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

Jump to page 1Prev 2512131415161718Next 25Last
Thread Title Replies Views Last Action
Becke charges
1 1423 May 7th 11:17 am
Pdpatel
2D surface (slab) geometry calculation example
0 1456 May 3rd 6:33 pm
Tholme
Nwpw band dplot
0 1072 Apr 27th 4:52 am
Btam125
SODFT ZORA
2 2555 Apr 22nd 12:09 pm
Erikm
Dplot DGEMM parameter error
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
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
0 2811 Jan 8th 10:34 am
Nwchemy
Electron Transfer Modul
0 1817 Jan 7th 6:18 am
Leprechaum
Convergence issue with smear tag
7 3356 Dec 23rd 11:17 am
Edoapra

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 2512131415161718Next 25Last