Running NWChem

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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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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

Forum >> NWChem's corner >> Running NWChem
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