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

Jump to page 1Prev 2524252627Next 25Last

Thread Title	Replies	Views	Last Action
Relativistic ANO basis sets	2	4795	Jun 22nd 8:34 pm Ddcr
Could NWCHEM carry out energy decomposition analysis like SAPT?	3	3263	Jun 14th 1:23 pm Bert
Position restraints in nwchem	1	2276	Jun 11th 9:12 am Bert
Frozen atoms in frequencies and transition states	3	2153	Jun 7th 8:54 am Bert
CCSD Optimization	1	2252	Jun 5th 11:49 am Bert
VIM syntax highlighting for NWCHEM input deck	1	2325	Jun 4th 10:29 am Edoapra
Wrong ordering of energy levels	2	2703	May 28th 8:31 am Chloe
NWCHEM fragment file questions	2	2723	May 25th 11:58 am Bert
mcscf:linear dependent AO basis	3	6131	May 21st 1:05 pm Huub
How to write input file when I want to use BLYP-D3 method with NWCHEM?	1	2883	May 16th 9:22 am Edoapra
How to use CBS (Complete Basis Setï¼?in NWCHEM	1	2232	May 4th 8:39 am Bert
Can I use BLYP-D, PBE-D and BLYP-D3 with NWCHEM?	1	2510	May 4th 6:36 am Niri
SCS-MP2	1	2857	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	2159	May 3rd 10:16 am Bert
TZV(2d,2p) basis set	1	2510	May 3rd 9:49 am Bert
Frequency output	1	1802	May 3rd 9:09 am Bert
Optimization of unit cell	0	1706	May 2nd 3:34 pm Deburg0
Compiling NWCHEM without MPI	1	2287	Apr 30th 9:43 am Edoapra
Projected density of states(PDOS)	0	2860	Apr 29th 9:51 pm Brynetan
Density of states and np_dimensions	4	4202	Apr 29th 9:45 pm Brynetan
Help with DFT and Cosmo	5	3976	Apr 23rd 7:48 am Rpmuller
dft_geopt_problem	9	3941	Apr 19th 12:07 pm Bert
organic Crystal optimization with plane waves	1	2083	Apr 19th 2:00 am Gregorio García
lmbfgs minimization algorithm does not seem to work with R-3c space group	0	1831	Apr 18th 2:01 pm Deburg0
TDDFT for exited state Raman	1	2071	Apr 17th 11:10 am Niri

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 2524252627Next 25Last