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
CCSD Optimization	1	2251	Jun 5th 11:49 am Bert
VIM syntax highlighting for NWCHEM input deck	1	2324	Jun 4th 10:29 am Edoapra
Wrong ordering of energy levels	2	2702	May 28th 8:31 am Chloe
NWCHEM fragment file questions	2	2722	May 25th 11:58 am Bert
mcscf:linear dependent AO basis	3	6130	May 21st 1:05 pm Huub
How to write input file when I want to use BLYP-D3 method with NWCHEM?	1	2882	May 16th 9:22 am Edoapra
How to use CBS (Complete Basis Setï¼?in NWCHEM	1	2231	May 4th 8:39 am Bert
Can I use BLYP-D, PBE-D and BLYP-D3 with NWCHEM?	1	2509	May 4th 6:36 am Niri
SCS-MP2	1	2856	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	2158	May 3rd 10:16 am Bert
TZV(2d,2p) basis set	1	2509	May 3rd 9:49 am Bert
Frequency output	1	1801	May 3rd 9:09 am Bert
Optimization of unit cell	0	1705	May 2nd 3:34 pm Deburg0
Compiling NWCHEM without MPI	1	2286	Apr 30th 9:43 am Edoapra
Projected density of states(PDOS)	0	2859	Apr 29th 9:51 pm Brynetan
Density of states and np_dimensions	4	4201	Apr 29th 9:45 pm Brynetan
Help with DFT and Cosmo	5	3975	Apr 23rd 7:48 am Rpmuller
dft_geopt_problem	9	3940	Apr 19th 12:07 pm Bert
organic Crystal optimization with plane waves	1	2082	Apr 19th 2:00 am Gregorio García
lmbfgs minimization algorithm does not seem to work with R-3c space group	0	1830	Apr 18th 2:01 pm Deburg0
TDDFT for exited state Raman	1	2070	Apr 17th 11:10 am Niri
MULTIPLICITY	1	5013	Apr 13th 8:13 am Marcindulak
Precision of the parameters in trj file	2	1917	Apr 13th 12:30 am Guo
NaNO3 optimization does not converge	0	1696	Apr 8th 2:09 pm Deburgess
IR frequencies of NaNO3 crystal	0	2479	Apr 6th 7:44 pm Deburgess

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