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

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Thread Title	Replies	Views	Last Action
Problem doing calculation with ~20000 bqs	2	1775	Mar 16th 10:46 am Niri
Grid integrated density problem	3	4847	Mar 7th 1:24 pm Bert
Electron transfer between fragments of a conjugated molecule	1	2661	Mar 7th 12:10 pm Bert
did anyone know how to deal with the "Dimension mwm too small" error in md	1	1922	Mar 7th 12:00 pm Bert
Electrostatic Potential Fit	0	2121	Mar 6th 9:58 am P99
how to plot the potential distribution including internal HF, XC etc, and external E-field etc	1	2100	Mar 2nd 7:48 am Niri
PDCharges	12	3695	Feb 17th 6:54 pm Bert
COSMO convergence	7	3531	Feb 16th 7:27 am P99
I can't post in the compiling session	4	4260	Feb 9th 4:44 am Marcindulak
includestress vs includelattice	1	2366	Feb 7th 12:30 pm Bylaska
electron transfer: how can I calculate products structure?	3	2957	Feb 1st 10:41 am Bert
TDDFT output question	4	3333	Feb 1st 10:37 am Guest -
plane wave and band: why(how) are they different?	3	2502	Jan 30th 4:28 pm Guest -
when is 6.1 out?	3	2205	Jan 29th 2:42 pm Jbaltrus
topology problem	3	2473	Jan 26th 1:18 pm Bert
Topology	2	2242	Jan 26th 10:59 am Bert
source code	1	1995	Jan 26th 10:57 am Guest -
Can geometry optimization be done together with spin constrain (using cdft)?	0	3256	Jan 20th 12:57 am Xiaotianzhou
How can I add a point charge near the molecules in QM calculation	1	1854	Jan 18th 9:57 pm Niri
Can't submit to Compiling forum	7	3545	Jan 6th 1:55 pm Marcindulak
internal coordinates problem	5	7365	Dec 28th 2:04 pm Bert
restart problem	3	2229	Dec 22nd 3:25 pm Bert
how to get ecce output file after calculation	1	2122	Dec 22nd 3:22 pm Bert
How to get the bond vibrational frequency from the output file?	1	2430	Dec 22nd 3:20 pm Bert
reproducing data in restarting CPMD simulation	0	2437	Dec 12th 10:09 pm Yshan

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