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

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Thread Title	Replies	Views	Last Action
.cube Files (Output for Dplot)	10	3855	Apr 3rd 9:21 am Sean
ccCA Energies	0	1331	Apr 1st 3:05 pm Skirkby
Slow frequency calculation	2	3077	Apr 1st 11:32 am Mernst
Error during dplot calculations	1	1517	Mar 30th 9:27 am Edoapra
Calculate Properties Only from a Previously Converged Set of Existing Files	1	1288	Mar 25th 10:47 am Edoapra
String restart error	0	1210	Mar 20th 1:58 pm Pdpatel
DFTB-D in nwchem	2	4157	Mar 16th 3:14 am Iresh
Single uranium atom simulation using SARC-ZORA basis	0	1819	Mar 15th 1:04 pm Alexxx
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar	2	2177	Mar 10th 2:05 pm Anup9802
Output wavefunction to cubefiles	2	2047	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	1650	Mar 7th 7:16 am Ezequiel
SMD (Solvation Model Based on Density) Model	6	2961	Mar 2nd 7:49 pm Mhiranya
Problem with nw_spectrum.py	3	2966	Feb 21st 7:20 pm Mernst
Getting started with NWChem - Convergence problem	3	3172	Feb 1st 1:03 pm Mernst
BSSE energy in presence of other atoms nearby...	0	1969	Jan 15th 4:23 am Neo
Old version downloads?	1	2442	Jan 12th 11:30 am Mernst
Dispersion with pbe96	0	2809	Jan 8th 10:34 am Nwchemy
Electron Transfer Modul	0	1815	Jan 7th 6:18 am Leprechaum
Convergence issue with smear tag	7	3354	Dec 23rd 11:17 am Edoapra
Plane-wave DFT problem - unit cell optimization	1	2268	Dec 18th 10:49 am Chun-hung.wang
How to represent 1s electron with ECP in the core-hole calculation?	0	1823	Dec 16th 1:07 am Kalju
atomic C does not converge with nolevelshifting	3	1996	Dec 10th 12:31 pm Edoapra
MBPT4 = MP4	2	2925	Dec 10th 9:38 am Jhammond
How to do BCCD(T) computation in NWChem?	8	2613	Dec 10th 8:49 am Jhammond
Incomplete output of One- and Two-particle density matrices in MCSCF calculation	0	1870	Dec 9th 10:04 am Frank

Forum >> NWChem's corner >> General Topics

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