General Topics

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

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Thread Title	Replies	Views	Last Action
Could NWCHEM carry out energy decomposition analysis like SAPT?	3	3261	Jun 14th 1:23 pm Bert
Position restraints in nwchem	1	2274	Jun 11th 9:12 am Bert
Frozen atoms in frequencies and transition states	3	2151	Jun 7th 8:54 am Bert
CCSD Optimization	1	2250	Jun 5th 11:49 am Bert
VIM syntax highlighting for NWCHEM input deck	1	2323	Jun 4th 10:29 am Edoapra
Wrong ordering of energy levels	2	2701	May 28th 8:31 am Chloe
NWCHEM fragment file questions	2	2721	May 25th 11:58 am Bert
mcscf:linear dependent AO basis	3	6129	May 21st 1:05 pm Huub
How to write input file when I want to use BLYP-D3 method with NWCHEM?	1	2881	May 16th 9:22 am Edoapra
How to use CBS (Complete Basis Setï¼?in NWCHEM	1	2230	May 4th 8:39 am Bert
Can I use BLYP-D, PBE-D and BLYP-D3 with NWCHEM?	1	2508	May 4th 6:36 am Niri
SCS-MP2	1	2855	May 3rd 12:27 pm Bert
How to only optimize the distance between the centers of the rings in pi-pi stacking by NWCHEM?	1	2157	May 3rd 10:16 am Bert
TZV(2d,2p) basis set	1	2508	May 3rd 9:49 am Bert
Frequency output	1	1800	May 3rd 9:09 am Bert
Optimization of unit cell	0	1704	May 2nd 3:34 pm Deburg0
Compiling NWCHEM without MPI	1	2285	Apr 30th 9:43 am Edoapra
Projected density of states(PDOS)	0	2858	Apr 29th 9:51 pm Brynetan
Density of states and np_dimensions	4	4200	Apr 29th 9:45 pm Brynetan
Help with DFT and Cosmo	5	3974	Apr 23rd 7:48 am Rpmuller
dft_geopt_problem	9	3939	Apr 19th 12:07 pm Bert
organic Crystal optimization with plane waves	1	2081	Apr 19th 2:00 am Gregorio García
lmbfgs minimization algorithm does not seem to work with R-3c space group	0	1829	Apr 18th 2:01 pm Deburg0
TDDFT for exited state Raman	1	2069	Apr 17th 11:10 am Niri
MULTIPLICITY	1	5012	Apr 13th 8:13 am Marcindulak

Forum >> NWChem's corner >> General Topics

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