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Displaying 25 results for: Bert Posts

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Thread Title	Replies	Views	Last Action	Forum
rodft and range separated-functional Started By : Goose99	3	35	May 24th 7:51 pm Goose99	Running NWChem
Geometry Optimization with COSMO Started By : Shireham	8	1222	May 24th 11:54 am Bert	NWChem functionality
Compiling NWChem on Cygwin Started By : P99	9	67	May 24th 11:41 am Bert	Compiling NWChem
electronic coupling from CDFT Started By : Tiechong	9	437	May 17th 3:39 pm Bert	Running NWChem
CCSD(T) issues with NWChem 6.1.1 Started By : Bert	6	79	May 16th 11:29 pm Uew	Running NWChem
CCSD iterations does not converge Started By : Rusun	3	102	May 13th 11:00 pm Rusun	General Topics
Calculating delta G from frequency calculation. Started By : Beckmw	4	74	May 13th 3:46 pm Beckmw	General Topics
cannot post a message Started By : Uew	1	36	May 13th 2:17 pm Bert	Running NWChem
molecular orbitals conversion from .movecs to .txt Started By : Wl	2	80	May 13th 7:51 am Wl	General Topics
Point-Charge--Freq Started By : Shahabnaghavi	1	71	May 7th 12:21 pm Bert	NWChem functionality
optimization in DFT-D3 Started By : P99	3	70	May 7th 12:13 pm Bert	General Topics
VSCF PES for a linear molecule Started By : Andrewb	2	109	May 3rd 12:13 am Andrewb	General Topics
band structure Started By : Makhyoun	2	87	May 2nd 4:20 pm Makhyoun	General Topics
pspw_dplot Started By : Makhyoun	2	75	May 2nd 4:16 pm Makhyoun	General Topics
Orbitals of a molecule enclosed by charged points Started By : Futofuji	4	212	Apr 30th 9:17 am Bert	NWChem functionality
natural orbitals Started By : Adam.k	3	127	Apr 30th 9:12 am Bert	NWChem functionality
CASPT2 methode for nwchem Started By : Tkoeddermann	1	105	Apr 30th 9:10 am Bert	NWChem functionality
Error in input file: Started By : Alfcanova	1	66	Apr 30th 9:07 am Bert	General Topics
doubts in input file: error atomscf Started By : Alfcanova	1	64	Apr 30th 9:05 am Bert	General Topics
Relativistic basis Started By : Alfcanova	1	62	Apr 30th 9:00 am Bert	General Topics
How to compute overlap between two wavefunctions in NWChem Started By : Gpilania	2	125	Apr 24th 2:12 pm Gpilania	General Topics
How to bring wall time closer to cpu time Started By : Sergei	1	144	Apr 23rd 9:58 am Bert	Running NWChem
error with examples jobs Started By : Maurorodas	3	143	Apr 22nd 4:01 pm Edoapra	Running NWChem
how to output wavefunctions Started By : Lvjian8596	1	105	Apr 22nd 3:22 pm Bert	General Topics
Optimizations with multiple negative frequencies Started By : TMD IUP	1	121	Apr 19th 4:33 pm Bert	Running NWChem
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