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
Output of matrices: format and file	0	1847	Aug 20th 11:59 pm Bob79
About SARC-ZORA basis set	0	2349	Aug 20th 10:20 am Alexx
Error in NEB calculation (release 6.3)	2	2061	Aug 20th 8:24 am Mahbub03
Understanding Gaussian Cube file output by NWChem	3	2907	Aug 19th 3:47 pm Edoapra
moments in MP2	0	1612	Aug 18th 3:14 am P99
Examples/tutorial for TD-DFT?	2	2634	Aug 15th 10:14 am Kpelzer
higher than CCSD(T) ?	0	1917	Aug 15th 2:11 am P99
Regarding timings	8	1802	Aug 14th 11:18 pm Karteek
URL not found	0	1282	Aug 12th 11:10 am Jbaltrus
Fukui calculation	1	1680	Aug 12th 2:03 am Inaki
DFT energy component under COSMO model	1	2016	Jul 22nd 3:53 pm Edoapra
Molecular Orbital Components	1	1954	Jul 22nd 3:26 pm Edoapra
Job Stopped	15	2746	Jul 21st 3:23 pm Grad
more significant digits	2	2165	Jul 17th 6:47 pm Jtravers
Problem with ubuntu and NWChem	4	2202	Jul 17th 6:10 pm Hong420
Possible Bug in NWCHEM: TD-B97	6	3319	Jul 10th 9:11 am Bert
CCSD iterations does not converge	11	6374	Jul 10th 9:08 am Bert
Welcome...	3	2622	Jul 8th 2:34 pm Niri
Looking for help on electron transfer using CDFT	2	2143	Jul 8th 2:28 pm Mahbub03
Question about "DRIVER"	2	2078	Jul 8th 3:18 am Hong420
Convergence Failure-B3LYP-D3 single point calculations for Transition Metal Complexes	4	6654	Jul 5th 7:34 am Manu nwchem
Conformational Space Travel in NWCHEM	0	1664	Jul 4th 1:47 am Chenwei
How to compute overlap between two wavefunctions in NWChem	3	3458	Jun 30th 7:13 am Saba
Development snapshot June 17, 2013	0	1527	Jun 27th 4:26 pm Mef362
comparison with other ab nitio modelling package	2	1921	Jun 26th 1:23 pm Wl
Problem with the Vxc matrix	6	2044	Jun 21st 12:43 am Boulange

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