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Announcement's	Replies	Views	Last Action
NWChem 6.5 has been released Started By : Karol	0	5269	Sep 15th 11:02 am Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	7669	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
How to write input file when I want to use OP method with NWCHEM? Can anyone give me a detailed Started By : Ezequiel	2	696	Mar 7th 7:16 am Ezequiel
SMD (Solvation Model Based on Density) Model Started By : Mhiranya	6	744	Mar 2nd 7:49 pm Mhiranya
Problem with nw_spectrum.py Started By : Rossi	3	824	Feb 21st 7:20 pm Mernst
Getting started with NWChem - Convergence problem Started By : LonelySpooky	3	903	Feb 1st 1:03 pm Mernst
Dplot display of HOMO and LUMO Started By : Bk.ong	5	2064	Jan 28th 12:51 pm Edoapra
BSSE energy in presence of other atoms nearby... Started By : Neo	0	852	Jan 15th 4:23 am Neo
Old version downloads? Started By : Jrc	1	1091	Jan 12th 11:30 am Mernst
Dispersion with pbe96 Started By : Nwchemy	0	776	Jan 8th 10:34 am Nwchemy
Electron Transfer Modul Started By : Leprechaum	0	785	Jan 7th 6:18 am Leprechaum
Convergence issue with smear tag Started By : Nwchemy	7	969	Dec 23rd 11:17 am Edoapra
Plane-wave DFT problem - unit cell optimization Started By : Chun-hung.wang	1	840	Dec 18th 10:49 am Chun-hung.wang
How to represent 1s electron with ECP in the core-hole calculation? Started By : Kalju	0	726	Dec 16th 1:07 am Kalju
Constrained DFT in NWCHEM Started By : Suoe	1	872	Dec 12th 7:42 am Nwchemy
atomic C does not converge with nolevelshifting Started By : Nwchemy	3	737	Dec 10th 12:31 pm Edoapra
MBPT4 = MP4 Started By : Guest -	2	1494	Dec 10th 9:38 am Jhammond
How to do BCCD(T) computation in NWChem? Started By : Rana	8	981	Dec 10th 8:49 am Jhammond
Incomplete output of One- and Two-particle density matrices in MCSCF calculation Started By : Frank	0	779	Dec 9th 10:04 am Frank
sign of the transition moment in the CIS calculation Started By : Lugodmer	2	850	Dec 5th 10:44 am Lugodmer
wB97XD in NWCHEM Started By : Jahir123	1	839	Nov 25th 10:03 am Edoapra
Electronic coupling constant (VAB) for TiO2 Started By : Neodiplomat	0	760	Nov 23rd 8:13 pm Neodiplomat
How to generate a RMSD file after CPMD simulation? Started By : Frank d	0	184	Nov 21st 10:27 am Frank d
Singularity in Pulay matrix. Error and Fock matrices removed. Started By : Aggie2015	3	391	Nov 20th 6:29 pm Aggie2015
test Started By : Nwchemy	0	188	Nov 17th 8:54 am Nwchemy
changing rsolv in cosmo does not change solvation energy at all Started By : Nwchemy	0	187	Nov 11th 3:04 pm Nwchemy
Temperature of water in cosmo calculation Started By : Nwchemy	0	220	Nov 11th 9:02 am Nwchemy

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