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
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