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Announcement's	Replies	Views	Last Action
NWChem 6.5 has been released Started By : Karol	0	5229	Sep 15th 11:02 am Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	7641	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
CPHF convergence issues Started By : MSiebert	0	446	Feb 21st 1:51 pm MSiebert
DPlot: Failed to allocate values 0 Started By : Philip007	2	545	Feb 18th 12:28 pm Philip007
unit of energy used in NWChem Started By : Alexx	1	377	Feb 18th 10:56 am Edoapra
What is the atom_index in Metadynamic block Started By : Lyzhao	1	379	Feb 17th 6:34 pm Lyzhao
DPlot: Failed to allocate values 0 Started By : Philip007	0	359	Feb 17th 3:04 pm Philip007
Homo and Lumo energies Started By : Auwalu	0	354	Feb 16th 12:03 am Auwalu
Job not completed.. Started By : Mhiranya	1	599	Feb 7th 12:48 pm Edoapra
How to calculate the Free energy Started By : Mhiranya	0	548	Feb 2nd 3:55 pm Mhiranya
DFT-NEB calculation stops give error Started By : Sanjib	0	610	Feb 2nd 11:52 am Sanjib
How to do transition state calculations using nwchem... Started By : Mhiranya	2	707	Jan 30th 1:49 pm Mhiranya
ESP fit and bq charges Started By : Pfriederich	1	519	Jan 30th 8:56 am Mhiranya
Kinetic energy from correlated density matrix Started By : Danielhmm	1	567	Jan 24th 11:05 am Huub
Convergence problem... Started By : Mhiranya	7	908	Jan 23rd 9:50 pm Mhiranya
How to do TDDFT calculations in solvent? Started By : Y.t.azar	2	1020	Jan 17th 3:03 am Y.t.azar
appropriate units for mu when using range-separated functional? Started By : Kpelzer	1	585	Jan 15th 9:22 pm Niri
User defined parameter file for molecular dynamics Started By : Christopher.lee	0	530	Jan 10th 3:42 am Christopher.lee
strange dipole derivatives Started By : Zork	1	659	Jan 7th 4:34 pm Edoapra
Periodic Molecular Dynamics/Moleulcar Mechanics Started By : Christopher.lee	0	485	Jan 7th 6:48 am Christopher.lee
esp restrain Started By : P99	14	2013	Jan 2nd 7:43 am P99
Fixing lattice angles Started By : Christopher.lee	0	510	Dec 20th 2:54 am Christopher.lee
Calculation of atomic dipole for each atom in molecule seperately. Started By : Y.t.azar	1	621	Dec 19th 9:44 am Niri
Uniform E field for Real Time TD-DFT? Started By : TPFleming	1	676	Dec 19th 9:30 am Niri
Help in Z matrix Started By : Grad	5	1172	Dec 10th 4:30 am Faith
how to fix origin? Started By : Y.t.azar	3	621	Dec 2nd 4:14 pm Y.t.azar
Different ECP assignments for the same type of atoms Started By : Heischodir	5	681	Dec 1st 7:45 am Niri

Forum >> NWChem's corner >> General Topics

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