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 25252627Next 25Last
Thread Title Replies Views Last Action
Problem doing calculation with ~20000 bqs
2 1776 Mar 16th 10:46 am
Niri
Grid integrated density problem
3 4848 Mar 7th 1:24 pm
Bert
Electron transfer between fragments of a conjugated molecule
1 2662 Mar 7th 12:10 pm
Bert
did anyone know how to deal with the "Dimension mwm too small" error in md
1 1923 Mar 7th 12:00 pm
Bert
Electrostatic Potential Fit
0 2122 Mar 6th 9:58 am
P99
how to plot the potential distribution including internal HF, XC etc, and external E-field etc
1 2101 Mar 2nd 7:48 am
Niri
PDCharges
12 3696 Feb 17th 6:54 pm
Bert
COSMO convergence
7 3532 Feb 16th 7:27 am
P99
I can't post in the compiling session
4 4261 Feb 9th 4:44 am
Marcindulak
includestress vs includelattice
1 2367 Feb 7th 12:30 pm
Bylaska
electron transfer: how can I calculate products structure?
3 2958 Feb 1st 10:41 am
Bert
TDDFT output question
4 3334 Feb 1st 10:37 am
Guest -
plane wave and band: why(how) are they different?
3 2503 Jan 30th 4:28 pm
Guest -
when is 6.1 out?
3 2206 Jan 29th 2:42 pm
Jbaltrus
topology problem
3 2474 Jan 26th 1:18 pm
Bert
Topology
2 2243 Jan 26th 10:59 am
Bert
source code
1 1996 Jan 26th 10:57 am
Guest -
Can geometry optimization be done together with spin constrain (using cdft)?
0 3257 Jan 20th 12:57 am
Xiaotianzhou
How can I add a point charge near the molecules in QM calculation
1 1855 Jan 18th 9:57 pm
Niri
Can't submit to Compiling forum
7 3546 Jan 6th 1:55 pm
Marcindulak
internal coordinates problem
5 7366 Dec 28th 2:04 pm
Bert
restart problem
3 2230 Dec 22nd 3:25 pm
Bert
how to get ecce output file after calculation
1 2123 Dec 22nd 3:22 pm
Bert
How to get the bond vibrational frequency from the output file?
1 2431 Dec 22nd 3:20 pm
Bert
reproducing data in restarting CPMD simulation
0 2438 Dec 12th 10:09 pm
Yshan

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 25252627Next 25Last