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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1751 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3813 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
RT-TDDFT restart
Started By : Extremis
2 1258 Apr 13th 4:02 pm
Extremis
.cube Files (Output for Dplot)
Started By : J.Yevlig
10 3449 Apr 3rd 9:21 am
Sean
ccCA Energies
Started By : Skirkby
0 1155 Apr 1st 3:05 pm
Skirkby
Slow frequency calculation
Started By : Jwkeller
2 2442 Apr 1st 11:32 am
Mernst
Error during dplot calculations
Started By : Aniruddha
1 1249 Mar 30th 9:27 am
Edoapra
Calculate Properties Only from a Previously Converged Set of Existing Files
Started By : Rossi
1 1090 Mar 25th 10:47 am
Edoapra
String restart error
Started By : Pdpatel
0 1032 Mar 20th 1:58 pm
Pdpatel
DFTB-D in nwchem
Started By : Lmyiop
2 3818 Mar 16th 3:14 am
Iresh
Single uranium atom simulation using SARC-ZORA basis
Started By : Alexxx
0 1667 Mar 15th 1:04 pm
Alexxx
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar
Started By : Anup9802
2 1972 Mar 10th 2:05 pm
Anup9802
Output wavefunction to cubefiles
Started By : Jes060
2 1806 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
Started By : Ezequiel
2 1487 Mar 7th 7:16 am
Ezequiel
SMD (Solvation Model Based on Density) Model
Started By : Mhiranya
6 2650 Mar 2nd 7:49 pm
Mhiranya
Problem with nw_spectrum.py
Started By : Rossi
3 2580 Feb 21st 7:20 pm
Mernst
Getting started with NWChem - Convergence problem
Started By : LonelySpooky
3 2626 Feb 1st 1:03 pm
Mernst
BSSE energy in presence of other atoms nearby...
Started By : Neo
0 1818 Jan 15th 4:23 am
Neo
Old version downloads?
Started By : Jrc
1 2264 Jan 12th 11:30 am
Mernst
Dispersion with pbe96
Started By : Nwchemy
0 2489 Jan 8th 10:34 am
Nwchemy
Electron Transfer Modul
Started By : Leprechaum
0 1652 Jan 7th 6:18 am
Leprechaum
Convergence issue with smear tag
Started By : Nwchemy
7 3025 Dec 23rd 11:17 am
Edoapra
Plane-wave DFT problem - unit cell optimization
Started By : Chun-hung.wang
1 2020 Dec 18th 10:49 am
Chun-hung.wang
How to represent 1s electron with ECP in the core-hole calculation?
Started By : Kalju
0 1671 Dec 16th 1:07 am
Kalju
atomic C does not converge with nolevelshifting
Started By : Nwchemy
3 1770 Dec 10th 12:31 pm
Edoapra
MBPT4 = MP4
Started By : Guest -
2 2675 Dec 10th 9:38 am
Jhammond
How to do BCCD(T) computation in NWChem?
Started By : Rana
8 2334 Dec 10th 8:49 am
Jhammond

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