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 2517181920212223Next 25Last
Thread Title Replies Views Last Action
CDFT constain charge for help
 2 2051 Apr 10th 11:13 pm
Tfliu
Two Molecule System Doesn't Optimize
 1 1704 Apr 8th 7:39 pm
Huub
Fortran runtime error: Bad value during floating point read
 1 12863 Apr 8th 7:28 pm
Huub
APPLICATION TERMINATED WITH THE EXIT STRING....
 1 4261 Apr 8th 7:11 pm
Huub
Understanding Numerical Gradients with TD-DFT
 1 1887 Apr 8th 6:39 pm
Huub
RESP example??
 1 1816 Apr 8th 6:31 pm
Huub
HOMO-LUMO gap in Aun
 1 2150 Apr 8th 6:27 pm
Huub
run frozen or is it normal
 1 1349 Apr 8th 6:05 pm
Huub
SARC-ZORA @ nwchem 6.0
 1 1742 Apr 8th 5:59 pm
Huub
how to put a charge in a certain atom
 1 1584 Apr 8th 5:37 pm
Huub
failed convergance for a single atom
 1 2059 Apr 8th 5:27 pm
Huub
molecular orbitals
 3 1567 Apr 4th 1:36 pm
Sujitha
Numerical result out of range
 0 2613 Mar 27th 1:20 pm
Aggie2015
NWCHEMRATE
 0 1409 Mar 25th 1:14 pm
Manu nwchem
NWChem 6.3 GPU support
 1 5230 Mar 24th 12:32 pm
Edoapra
Cannot post to ECCE forum
 1 1265 Mar 19th 12:17 pm
WillEverett
All-Electron calculation for Gold
 2 2562 Mar 19th 12:52 am
Elvis
dummy charge for help
 1 1533 Mar 18th 5:23 pm
Tfliu
ET model for help
 5 1647 Mar 17th 5:06 pm
Tfliu
run spherical atom with evenly distributed valence electron
 1 2231 Mar 14th 2:07 pm
Edoapra
CCSD(T) error
 2 1861 Mar 14th 9:53 am
Edoapra
dft optimization failed
 1 1641 Mar 12th 10:08 am
Mhiranya
unknown field hyperbolic
 2 1501 Mar 12th 6:29 am
Grad
mult value calculation for the DFT-NEB calculation
 3 2847 Mar 10th 5:01 pm
MattZ
calculation of electronic coupling for help
 2 1990 Mar 7th 12:17 am
Tfliu
Please suggest Ultrasoft Pseudopotential for Cerium
 0 1519 Mar 6th 3:39 am
Harsh Somani

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 2517181920212223Next 25Last