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	2523	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
Periodic systems Started By : JimW	5	815	Jun 14th 1:25 pm Bert
PAW U basis set. Started By : Davis68	0	521	Jun 1st 8:59 am Davis68
Freexing single coordinate geometry optimization Started By : Guest -	4	1018	May 21st 6:26 am Davis68
real-time TDDFT Started By : Lihb734	2	580	May 9th 6:43 pm Lihb734
IRC calculations Started By : Jbaltrus	3	615	Apr 25th 11:42 am Bert
TDDFT Core states Started By : Kuleszaa	5	739	Apr 10th 2:42 pm Niri
symmetry use in TDDFT Started By : Goose99	1	420	Apr 5th 9:55 am Niri
A question about MP2 energy gradient Started By : Neil	1	544	Mar 13th 3:14 pm Edoapra
Printing gradients for the scf hessian run Started By : Jonathan	1	494	Mar 12th 10:07 am Bert
set mixang option Started By : Zdm	1	505	Mar 2nd 7:41 am Niri
COSMO output questions Started By : Redmilps	2	575	Feb 7th 10:11 pm Redmilps
hybrid functionals with band Started By : Jbaltrus	3	565	Feb 7th 12:36 pm Bylaska
FREEZE atomic Started By : Jbaltrus	1	544	Feb 5th 10:18 pm Niri
DFT Orbital Energies Output Started By : Guest -	1	644	Jan 27th 12:44 pm Bert
convergence threshold affected by property calculation Started By : Guest -	5	768	Jan 25th 12:49 pm Guest -
EOM-CCSD sample input file and Dipole moments of Excited states Started By : Guest -	1	776	Jan 25th 7:46 am Guest -
fxc: calc_type-l3d logic wrong Started By : Guest -	3	565	Jan 13th 6:03 pm Edoapra
Spherical vs cartesian basis sets Started By : Guest -	1	733	Jan 6th 11:34 am Bert
geometry scanning problem Started By : Maxabruzzi	1	575	Dec 22nd 3:59 pm Bert
Visualizing Unoccupied Orbitals Started By : Lmadison	1	630	Dec 22nd 3:54 pm Bert
Some beginners questions Started By : Bob79	2	661	Dec 7th 1:58 am Bob79
BSSE error Started By : Guest -	8	1443	Nov 21st 9:43 am Marcindulak
Conformational search Started By : Guest -	1	729	Oct 14th 10:01 am Bert
Lowdin population analysis Started By : Cchang	13	1342	Oct 7th 3:32 pm Cchang
Superdelocalizability functionality Started By : Jontyzack	1	770	Sep 7th 1:52 pm Bert

Forum >> NWChem's corner >> NWChem functionality

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