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 2531323334353637Next 25Last
Thread Title Replies Views Last Action
Solving for a large Number of Roots in EOM-CCSD calculation
1 1892 Jun 20th 10:07 am
Karol
nwchem 6.3 NEB calculation with midpoint
2 2489 Jun 19th 7:50 am
Vladimir
rohf ccsd(t) memory problems nwchem 6.3
4 3343 Jun 19th 12:31 am
Nick
TCE runs fail for ROHF MP2
3 3112 Jun 7th 12:22 am
Jhammond
MP2 Correlation energy too big
2 2315 Jun 7th 12:15 am
Jhammond
rodft and range separated-functional
3 3164 May 24th 7:51 pm
Goose99
error running NWCHEM on mac book pro
0 1612 May 17th 4:47 am
Lorenzodona
Fail to run 2 example jobs
13 6408 May 17th 12:36 am
Viktor
nwchem binary on mac
0 2006 May 16th 1:33 am
Lorenzodona
How to engage more then one processor?
7 2967 May 14th 3:35 pm
Mehcwn
General technical issue about running nwchem job using computer clusters
1 2620 May 14th 6:30 am
Uew
cannot post a message
1 1693 May 13th 2:17 pm
Bert
DFT problem: Range-separated functionals failing to converge for C70 fullerene
7 3854 May 8th 1:07 pm
Kpelzer
task pspw optimize
0 1611 May 5th 12:06 pm
Makhyoun
test example of SiC optimization
1 3733 May 4th 9:14 am
Bylaska
NWChem 6.1.1 and Intel MPI with MKL
8 2902 May 2nd 3:42 pm
Edoapra
aoints files problem
1 2863 Apr 29th 9:38 am
Edoapra
error with examples jobs
3 2045 Apr 22nd 4:01 pm
Edoapra
Optimizations with multiple negative frequencies
1 4770 Apr 19th 4:33 pm
Bert
issues in setting Torsion for Geometry Adjust Zcoord
2 2372 Apr 17th 2:36 pm
Mime
Initial geometries for Nudged Elastic Band
0 1651 Apr 11th 9:51 pm
Adampelzer
Excited state geometry optimization
2 3006 Mar 28th 1:09 am
Manohar.awasthi
Running COSMO on NWChem, gathering energies for reaction coordinates
9 4034 Mar 22nd 9:04 am
Bert
Multiplicity problem
4 3020 Mar 15th 6:55 pm
Rui
ARMCI Errors with MKL ScaLAPACK
6 4657 Mar 15th 4:15 pm
Edoapra
Input Block 'String'
10 3982 Mar 12th 10:07 pm
Vladimir

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2531323334353637Next 25Last