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

Jump to page 1Prev 2530313233343536Next 25Last

Thread Title	Replies	Views	Last Action
Disable density fitting	1	2528	Sep 11th 8:46 am Edoapra
Single iteration and dummy convergence	1	1865	Sep 9th 11:03 am Edoapra
Suggestion for memory and integral storage	0	1521	Sep 3rd 12:50 am Bob79
contrib/python: scan_input() -- relationship between reported and actual geometries?	2	3796	Aug 29th 4:23 pm Ohlincha
K-point sampling	1	1734	Aug 29th 10:32 am Edoapra
optimized energies	0	1334	Aug 28th 11:39 am Karteek
restart the optimization	1	5425	Aug 28th 9:30 am Edoapra
DFT failed	1	1624	Aug 28th 9:27 am Edoapra
Questions about the optimization algorithms	3	2244	Aug 21st 7:21 am Ivo
response property of cation	3	3231	Aug 19th 6:26 pm Jhammond
Parallel using nwchem	2	1619	Aug 15th 12:19 am Hee
pDoS (gaussian basis) output	4	3721	Aug 14th 9:15 am Cjh085
Default rsolv value in nwchem 6.3 vs earlier versions	3	2293	Jul 30th 3:56 pm Ohlincha
ARMCI DASSERT fail	4	2378	Jul 29th 12:12 pm Smv
particle mesh ewald	0	1631	Jul 26th 2:01 am Sacch
no scf iteration !	6	3897	Jul 23rd 12:39 pm Mnahali
NWChem 6.1.1 CCSD(T) parallel running	1	3583	Jul 19th 12:34 pm Edoapra
Nwchem 6.3 running in Parallel	4	2532	Jul 19th 4:34 am Anita
The number of independent basis	1	1552	Jul 17th 6:27 pm Edoapra
dft module on nwchem 6.3	1	1688	Jul 17th 11:20 am Edoapra
Cartesian Gaussian Functions	1	2112	Jul 17th 11:18 am Edoapra
DFT input parse error	5	4049	Jul 10th 9:20 am Bert
problems with noscf	2	1676	Jul 4th 9:20 am Mo
CCSD(T) issues with NWChem 6.1.1	7	3871	Jun 27th 11:09 pm Dvmr
LC-wPBEh functional problem	1	1957	Jun 27th 9:25 am Bert
Solving for a large Number of Roots in EOM-CCSD calculation	1	1892	Jun 20th 10:07 am Karol

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2530313233343536Next 25Last