Running NWChem

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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3369 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5452 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
geom_rtdb_load: not found or rtdb corrupt
Started By : Xiaoshu
1 3271 Jan 11th 4:10 pm
Guest -
Scaling of processor vs. number of atoms
Started By : Ram
3 2756 Jan 11th 4:01 pm
Bert
how to read in the result MO from the last calculation?
Started By : Guest -
5 2452 Jan 11th 3:46 pm
Bert
Regarding running nwchem
Started By : Deepak1032
3 2659 Jan 8th 11:46 pm
Shmakov I. A.
Specifying regions for QMMM calculations
Started By : Antimon
1 1834 Jan 7th 1:18 pm
Antimon
how to print out the force related to each atom
Started By : Dulikai
1 1898 Dec 25th 5:33 pm
Dulikai
How do nwchem parallel run on a single machine
Started By : Javacfish
3 5146 Dec 1st 2:28 pm
Bert
Odd correlation energies for RI-MP2 calculations
Started By : Guest -
13 5151 Nov 24th 9:53 am
Guest -
charges embedding
Started By : Guest -
2 2134 Nov 21st 2:58 pm
Guest -
Convergence criteria for geometry optimization with B3LYP
Started By : Ram
3 11188 Nov 19th 4:28 pm
Ram
Run parallel
Started By : Guest -
2 2219 Nov 11th 2:19 am
Guest -
An error occured in the Runtime Database
Started By : Mnahali
4 8182 Nov 9th 12:05 pm
Mnahali
NP grid error
Started By : SurfStudent
1 2352 Nov 8th 1:23 pm
Bert
A number of the QA tests fail
Started By : Guest -
1 2684 Nov 4th 3:09 pm
Bert
formaldehyde results
Started By : Annaj
2 2433 Nov 2nd 10:14 am
Annaj
Endless TCGMSG run
Started By : Guest -
2 2635 Oct 28th 4:53 pm
Bert
MPI Error
Started By : Guest -
1 2184 Oct 18th 10:37 am
Guest -

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