General Topics

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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
includestress vs includelattice
1 2369 Feb 7th 12:30 pm
Bylaska
electron transfer: how can I calculate products structure?
3 2960 Feb 1st 10:41 am
Bert
TDDFT output question
4 3336 Feb 1st 10:37 am
Guest -
plane wave and band: why(how) are they different?
3 2505 Jan 30th 4:28 pm
Guest -
when is 6.1 out?
3 2208 Jan 29th 2:42 pm
Jbaltrus
topology problem
3 2476 Jan 26th 1:18 pm
Bert
Topology
2 2245 Jan 26th 10:59 am
Bert
source code
1 1998 Jan 26th 10:57 am
Guest -
Can geometry optimization be done together with spin constrain (using cdft)?
0 3259 Jan 20th 12:57 am
Xiaotianzhou
How can I add a point charge near the molecules in QM calculation
1 1857 Jan 18th 9:57 pm
Niri
Can't submit to Compiling forum
7 3548 Jan 6th 1:55 pm
Marcindulak
internal coordinates problem
5 7368 Dec 28th 2:04 pm
Bert
restart problem
3 2232 Dec 22nd 3:25 pm
Bert
how to get ecce output file after calculation
1 2125 Dec 22nd 3:22 pm
Bert
How to get the bond vibrational frequency from the output file?
1 2433 Dec 22nd 3:20 pm
Bert
reproducing data in restarting CPMD simulation
0 2440 Dec 12th 10:09 pm
Yshan
point charges in zmatrix
1 1910 Dec 2nd 5:10 pm
Bert
Spin-orbit
1 3151 Nov 21st 8:56 am
Niri
PAW module problem
2 2155 Nov 16th 12:00 pm
Bmehuwei
Vibrational analysis at CCSD level of theory
1 2874 Nov 11th 2:19 pm
Bert
when will GPU version be released?
2 3327 Nov 10th 1:22 pm
Davide
setting up and running mac binary
4 2771 Nov 4th 2:27 pm
Guest -
Spin contamination
1 2149 Oct 25th 12:05 pm
Niri
CAM-B3LYP
4 7422 Oct 24th 6:08 pm
Guest -
DISPLAY: Undefined variable. (ECCE error)
7 14889 Oct 17th 6:49 am
Guest -
Plane-wave pseudopotential library reference.
0 2233 Oct 10th 1:06 pm
Davis68

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