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
Meaning of nbf_ao .ne. nmo output during CDFT run?	1	508	Nov 5th 11:54 am Edoapra
CDFT seems hopeless please help.	0	443	Nov 4th 5:59 am Jdhoward
AO overlap for different geometries	3	1429	Oct 31st 2:43 pm Dblinger
optimization of a large grahene cluster	3	486	Oct 30th 6:35 am Seebol
Has NWCHEM implemented analytical gradient in UHF TDDFT?	1	435	Oct 29th 5:47 pm Xiongyan21
Speedup NWChem Calculations	1	681	Oct 28th 2:10 pm Seebol
DFT+U, SOC and exafs in NWPW	0	470	Oct 16th 5:07 am Sergbuto
fon with rodft	1	511	Sep 23rd 9:48 am Edoapra
Fail to find targeted root when running tddft geometry optimization	3	536	Aug 29th 8:33 pm Kaihong
Global rotation of molecule in NWChem?	0	471	Aug 28th 9:22 am Seebol
Load Directive Issue	1	508	Aug 27th 9:37 am Seebol
How to get the electronic coupling between two triplet state structures (energy transfer)	2	1016	Aug 5th 10:04 pm Xiongyan21
Limitxyz for DPLOT	0	432	Jul 30th 3:12 pm Kaihong
single scf using DFT	0	447	Jul 22nd 5:44 pm Holyriver6
DIRDYVTST error	0	405	Jul 20th 10:53 am Holyriver6
Question about "actlist"and "fix atom"	1	458	Jul 16th 9:17 am Edoapra
dft optimization failed	2	761	Jul 11th 7:18 am Kaihong
Estimating influence of spin-orbit effects on reaction energy?	1	526	Jul 5th 9:16 pm Xiongyan21
relaxed density from DHDFT	0	468	Jun 28th 7:31 am G123
NWchem output files	0	631	Jun 24th 9:15 am Seebol
MO Occupations -RTTDDFT	2	597	Jun 17th 5:24 am Matrix2019
Dplot display of HOMO and LUMO	6	7314	Jun 12th 3:03 pm Cong314159
When will the official new version of NWCHEM be released	4	682	May 17th 9:17 pm Xiongyan21
CHARMM in nwchem 6.8	0	478	May 10th 2:42 am Mspichty
Which input making software can create internals?	1	859	May 6th 11:33 pm Xiongyan21

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