Running NWChem


Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 12336 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 25
Thread Title Replies Views Last Action
TCE Restart
0 2108 Mar 30th 2:42 am
Guest -
DFT SCF procedure
2 10283 Mar 14th 12:41 pm
Guest -
Free energy of a protein.
2 2588 Mar 7th 10:19 pm
Guest -
MP2 on ROHF
1 2276 Mar 2nd 12:04 pm
Bert
Using NWchem binaries on various Linux versions
4 2858 Feb 7th 2:48 pm
Bert
Bug related to MAXVECS in TDDFT module
0 1877 Jan 23rd 4:26 pm
Guest -
g_b indices out of range in NMR shielding calculation
4 2987 Jan 22nd 12:10 am
Guest -
DFT optimization error for dimers and Platonic solid
0 3181 Jan 21st 8:37 am
Shmakov I. A.
geom_rtdb_load: not found or rtdb corrupt
1 3477 Jan 11th 4:10 pm
Guest -
Scaling of processor vs. number of atoms
3 2915 Jan 11th 4:01 pm
Bert
how to read in the result MO from the last calculation?
5 2587 Jan 11th 3:46 pm
Bert
Regarding running nwchem
3 2816 Jan 8th 11:46 pm
Shmakov I. A.
Specifying regions for QMMM calculations
1 1965 Jan 7th 1:18 pm
Antimon
how to print out the force related to each atom
1 2101 Dec 25th 5:33 pm
Dulikai
How do nwchem parallel run on a single machine
3 5438 Dec 1st 2:28 pm
Bert
Odd correlation energies for RI-MP2 calculations
13 5296 Nov 24th 9:53 am
Guest -
charges embedding
2 2286 Nov 21st 2:58 pm
Guest -
Convergence criteria for geometry optimization with B3LYP
3 11518 Nov 19th 4:28 pm
Ram
Run parallel
2 2380 Nov 11th 2:19 am
Guest -
An error occured in the Runtime Database
4 8984 Nov 9th 12:05 pm
Mnahali
NP grid error
1 2484 Nov 8th 1:23 pm
Bert
A number of the QA tests fail
1 2829 Nov 4th 3:09 pm
Bert
formaldehyde results
2 2606 Nov 2nd 10:14 am
Annaj
Endless TCGMSG run
2 2775 Oct 28th 4:53 pm
Bert
MPI Error
1 2320 Oct 18th 10:37 am
Guest -

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