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
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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