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
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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