NWChem functionality

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Announcement's	Replies	Views	Last Action
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	2512	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
TDDFT plots Started By : Himadride	0	19	May 17th 9:51 am Himadride
Off-diagonal Dipole Moment Elements betwen Excited States Started By : DouDou	2	225	May 9th 10:03 am DouDou
Point-Charge--Freq Started By : Shahabnaghavi	1	55	May 7th 12:21 pm Bert
Orbitals of a molecule enclosed by charged points Started By : Futofuji	4	193	Apr 30th 9:17 am Bert
natural orbitals Started By : Adam.k	3	113	Apr 30th 9:12 am Bert
CASPT2 methode for nwchem Started By : Tkoeddermann	1	90	Apr 30th 9:10 am Bert
COSMO surface and volume Started By : EugeneP	0	118	Apr 4th 5:31 am EugeneP
extract localized orbitals Started By : Lmentel	5	291	Mar 21st 12:54 am Boulange
DNTMC Started By : Mef362	2	300	Mar 8th 10:47 am Mef362
Molekel and Nwchem Ouput Started By : Reoverstreet	1	201	Mar 8th 10:18 am Bert
DFT-D in nwchem Started By : Strutynski.karol	3	207	Mar 6th 6:52 am Strutynski.karol
Bulk modulus. Started By : Davis68	2	335	Feb 1st 8:18 am Davis68
ZORA/SOC/Spin_Orbit PSP? Started By : Davis68	0	163	Jan 31st 1:56 pm Davis68
Contribution of one atom in specific MO Started By : Maillard	10	877	Jan 19th 6:52 pm Afonari
Local Density of States in k-space? Started By : Pecsabi	0	197	Jan 10th 4:07 am Pecsabi
Plotting orbitals Started By : Alessandro.chiesa	5	969	Dec 5th 11:14 am Bert
Wilson-Amos-Handy method for calculation of NMR shifts Started By : Ohlincha	14	565	Nov 26th 8:48 pm Ohlincha
NWChem vs Gaussian energies Started By : Clef	4	442	Nov 21st 12:18 am Clef
Band structure zero energy. Started By : Davis68	0	324	Nov 12th 1:41 pm Davis68
set orbital occupation number Started By : Tiechong	1	309	Oct 30th 2:49 pm Bert
spin-orbital potential Started By : Zzdbl520	1	328	Oct 29th 10:44 am Bert
Potential energy distribution (PED) Started By : Phosa	1	413	Oct 26th 4:59 pm Bert
Hrp versus Vrp in NWChem Started By : Tiechong	1	413	Oct 26th 4:42 pm Bert
disp vdw 3 with BP86 Started By : Parksjm	3	444	Oct 26th 4:37 pm Bert
Thermodinamic analysis for Actinides Started By : Gd	1	328	Oct 17th 6:30 pm Bert

Forum >> NWChem's corner >> NWChem functionality

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