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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
CCSD(2) keyword
Started By : P99
2 333 Nov 10th 11:35 pm
P99

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