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Locked Sticky: NWChem 6.8 available for dowload Started By : Edoapra	0	179	Dec 14th 1:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
Number of MPI Task Per Note when ARMCI_NETWORK=OpenIB and MCDRAM Started By : Chiensh	1	15	Jan 22nd 9:35 am Edoapra
Trouble with negative frequencies Started By : ChemHunter	3	57	Jan 19th 6:51 pm Edoapra
Calculation of SO-Potential from ECP? Started By : Sparks	4	42	Jan 19th 9:25 am Sparks
Calculation of SO-Potential from ECP? Started By : Sparks	0	16	Jan 17th 7:27 am Sparks
Dunning's aug-cc basis set convergence Started By : Amalbavera	5	42	Jan 16th 3:24 pm Amalbavera
Issue with NWChem 6.6 Started By : JamesFlores	0	126	Jan 16th 1:05 am JamesFlores
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz Started By : Xiongyan21	9	172	Jan 12th 8:10 am Niri
nwxc_input is not in this build of NWChem Started By : Xiongyan21	1	35	Jan 11th 10:53 pm Xiongyan21
Convergence problems with Au cluster1 2 Started By : Alessandro.chiesa	19	2446	Jan 8th 8:28 pm Xiongyan21
Start an NVE simulation from the last frame of NVT trajectory? Started By : Salle008	1	36	Jan 5th 5:34 am Sean
Langevin thermostat for Gaussian basis AIMD equilibrates higher than target temperature Started By : Salle008	2	55	Jan 3rd 6:59 pm Salle008
Resuming NVT QMD simulation from last step completed Started By : Salle008	2	93	Dec 22nd 11:17 am Salle008
Periodic ab initio MD? Started By : Salle008	0	35	Dec 22nd 11:02 am Salle008
Incorrect Orbital Plot Started By : Ryan81	0	83	Nov 30th 11:29 am Ryan81
Fukui directive does not work Started By : Anewton	1	85	Nov 28th 9:15 am Edoapra
What features use Scalapack in NWChem Started By : LonelySpooky	1	96	Nov 22nd 1:39 pm Edoapra
CCSD(T) - error for scandium (quartet) energy calculation Started By : Nothez	9	207	Nov 21st 6:32 am Xiongyan21
relaxed CCSD density matrix Started By : Kaunlao	0	62	Nov 13th 10:42 am Kaunlao
Pr3+ ion SCF calculation using Stuttgart large core ECP gives 'atomscf' error Started By : Sriram.gs.1987	2	84	Nov 8th 9:54 pm Sriram.gs.1987
BSSE/ghost atom calculations with DFT-D3 Started By : Snoop	2	84	Nov 8th 12:37 am Snoop
'Unrecognized pseudopotential 911' error while running Eu3+ complex with Stuttgart large core ECP Started By : Sriram.gs.1987	1	49	Nov 7th 10:43 am Niri
Different MPI, different "Max. records in file" Started By : Jfredin	1	65	Nov 7th 10:17 am Edoapra
Running benzene example Started By : Azwaj11	0	94	Nov 3rd 7:13 pm Azwaj11
How to add boundary conditions to a part of the system in nwpw model Started By : Liuwanqi	1	115	Nov 2nd 3:30 am Sean
Problems with CDFT and Becke populations (NWChem 6.6) Started By : Buchwj	4	1364	Nov 1st 11:01 am MMassen

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