NWChem functionality

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
mepgs and MCSCF	0	694	Feb 27th 3:42 am Tunell
SO-DFT Property Calculation	2	877	Feb 19th 3:29 am Sparks
Molekel and Nwchem Ouput	5	3599	Feb 7th 10:53 am Edoapra
Raman plot point number	6	1107	Feb 1st 10:41 am Edoapra
M06-2x and DISP v.4	3	1098	Dec 4th 1:40 pm Edoapra
Temperature Accelerated Molecular Dynamics	0	686	Nov 10th 10:32 pm Silvio
Relativistic spin-spin couplings	1	893	Nov 2nd 1:53 pm Niri
cvr_scaling and torsional angle	0	700	Oct 27th 7:30 pm Sandile5
Excited States State Dipole Moment with TD-DFT	7	3362	Oct 26th 6:36 am P.partovi
alpha, beta and omega in LC-wPBEh functional	0	709	Oct 18th 12:25 pm Sthomas
Feature request: write entropy to RTDB	2	1024	Aug 9th 7:43 pm Drhaney
VSCF - cubic and quartic anharmonicities	2	850	Jul 24th 5:39 am Nicole
uniform background charge in plane-wave calculations?	0	1015	May 23rd 10:52 am Kwaldner
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?	0	956	May 2nd 8:08 am Rangsiman
NBOFILE with CCSD(T)	0	909	Mar 7th 7:01 pm Dudektria
Problem with optimization	3	2641	Mar 3rd 5:55 am Dudektria
problem with initial_path in neb calculation	2	1606	Feb 13th 5:31 am Dudektria
Problem in modifying the subroutine	13	3292	Feb 11th 10:29 pm Toshiharu Higuchi
COSMO-SMD Initialization (regarding solvent accessible surface area)1 2	23	11416	Feb 2nd 8:59 am Xiongyan21
Processing tools for Gaussian AIMD	3	1566	Feb 1st 7:02 am Sean
Question about calculate transition electric field	4	1217	Jan 22nd 12:47 am Niri
Dplot question	3	1246	Jan 22nd 12:37 am Niri
Periodic boundary condition	0	1105	Jan 13th 7:56 pm Toshiharu Higuchi
External electric field in RT-TDDFT	4	1157	Jan 13th 6:43 pm Toshiharu Higuchi
cgmin and occup	0	1116	Dec 16th 9:04 pm Adu Zob
cpsi_data_alloc: out of heap memory 0	1	1634	Nov 23rd 11:35 am Alankar86

Forum >> NWChem's corner >> NWChem functionality

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