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
Dplot DGEMM parameter error	2	1392	Apr 15th 3:06 am Btam125
ARMCI DASSERT fail	4	1949	Apr 15th 3:01 am Btam125
RT-TDDFT restart	2	1564	Apr 13th 4:02 pm Extremis
.cube Files (Output for Dplot)	10	3856	Apr 3rd 9:21 am Sean
ccCA Energies	0	1332	Apr 1st 3:05 pm Skirkby
Slow frequency calculation	2	3078	Apr 1st 11:32 am Mernst
Error during dplot calculations	1	1518	Mar 30th 9:27 am Edoapra
Calculate Properties Only from a Previously Converged Set of Existing Files	1	1289	Mar 25th 10:47 am Edoapra
String restart error	0	1211	Mar 20th 1:58 pm Pdpatel
DFTB-D in nwchem	2	4158	Mar 16th 3:14 am Iresh
Single uranium atom simulation using SARC-ZORA basis	0	1820	Mar 15th 1:04 pm Alexxx
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar	2	2178	Mar 10th 2:05 pm Anup9802
Output wavefunction to cubefiles	2	2048	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	1651	Mar 7th 7:16 am Ezequiel
SMD (Solvation Model Based on Density) Model	6	2962	Mar 2nd 7:49 pm Mhiranya
Problem with nw_spectrum.py	3	2967	Feb 21st 7:20 pm Mernst
Getting started with NWChem - Convergence problem	3	3173	Feb 1st 1:03 pm Mernst
BSSE energy in presence of other atoms nearby...	0	1970	Jan 15th 4:23 am Neo
Old version downloads?	1	2443	Jan 12th 11:30 am Mernst
Dispersion with pbe96	0	2810	Jan 8th 10:34 am Nwchemy
Electron Transfer Modul	0	1816	Jan 7th 6:18 am Leprechaum
Convergence issue with smear tag	7	3355	Dec 23rd 11:17 am Edoapra
Plane-wave DFT problem - unit cell optimization	1	2269	Dec 18th 10:49 am Chun-hung.wang
How to represent 1s electron with ECP in the core-hole calculation?	0	1824	Dec 16th 1:07 am Kalju
atomic C does not converge with nolevelshifting	3	1997	Dec 10th 12:31 pm Edoapra

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 2512131415161718Next 25Last