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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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
Development history/timeline of NWChem
1 2433 Oct 4th 1:30 pm
Bert
QM/MM questions
0 3788 Sep 23rd 2:13 pm
Bug
ZORA and ECP
1 2338 Sep 22nd 10:46 am
Bert
units for linear response
2 2081 Sep 16th 3:50 pm
Niri
tolerance in CPHF module
5 3596 Sep 16th 5:54 am
Guest -
Convert NWChem output to GAMESS
1 2918 Sep 6th 9:39 am
Bert
vacuo directive in MD
1 1848 Aug 26th 2:06 pm
Guest -
metals with prepare
0 1714 Aug 25th 5:28 am
Guest -
Problem with "Save Preferences"
1 2049 Aug 19th 3:14 pm
Bert
Dimension msa too small
1 2461 Aug 19th 3:05 pm
Bert
run DFT using ROHF wavefunctions
1 2691 Aug 18th 6:16 am
Niri
Installing ECCE Client
1 2321 Aug 16th 1:55 pm
Bert
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0
1 2635 Aug 2nd 5:03 pm
Bert

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