Running NWChem

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
DFT failed	1	1623	Aug 28th 9:27 am Edoapra
Questions about the optimization algorithms	3	2243	Aug 21st 7:21 am Ivo
response property of cation	3	3230	Aug 19th 6:26 pm Jhammond
Parallel using nwchem	2	1617	Aug 15th 12:19 am Hee
pDoS (gaussian basis) output	4	3719	Aug 14th 9:15 am Cjh085
Default rsolv value in nwchem 6.3 vs earlier versions	3	2291	Jul 30th 3:56 pm Ohlincha
ARMCI DASSERT fail	4	2376	Jul 29th 12:12 pm Smv
particle mesh ewald	0	1629	Jul 26th 2:01 am Sacch
no scf iteration !	6	3895	Jul 23rd 12:39 pm Mnahali
NWChem 6.1.1 CCSD(T) parallel running	1	3581	Jul 19th 12:34 pm Edoapra
Nwchem 6.3 running in Parallel	4	2530	Jul 19th 4:34 am Anita
The number of independent basis	1	1550	Jul 17th 6:27 pm Edoapra
dft module on nwchem 6.3	1	1686	Jul 17th 11:20 am Edoapra
Cartesian Gaussian Functions	1	2110	Jul 17th 11:18 am Edoapra
DFT input parse error	5	4047	Jul 10th 9:20 am Bert
problems with noscf	2	1674	Jul 4th 9:20 am Mo
CCSD(T) issues with NWChem 6.1.1	7	3869	Jun 27th 11:09 pm Dvmr
LC-wPBEh functional problem	1	1955	Jun 27th 9:25 am Bert
Solving for a large Number of Roots in EOM-CCSD calculation	1	1890	Jun 20th 10:07 am Karol
nwchem 6.3 NEB calculation with midpoint	2	2487	Jun 19th 7:50 am Vladimir
rohf ccsd(t) memory problems nwchem 6.3	4	3341	Jun 19th 12:31 am Nick
TCE runs fail for ROHF MP2	3	3110	Jun 7th 12:22 am Jhammond
MP2 Correlation energy too big	2	2313	Jun 7th 12:15 am Jhammond
rodft and range separated-functional	3	3162	May 24th 7:51 pm Goose99
error running NWCHEM on mac book pro	0	1610	May 17th 4:47 am Lorenzodona
Fail to run 2 example jobs	13	6406	May 17th 12:36 am Viktor

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