General Topics

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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
run spherical atom with evenly distributed valence electron	1	2231	Mar 14th 2:07 pm Edoapra
CCSD(T) error	2	1861	Mar 14th 9:53 am Edoapra
dft optimization failed	1	1641	Mar 12th 10:08 am Mhiranya
unknown field hyperbolic	2	1501	Mar 12th 6:29 am Grad
mult value calculation for the DFT-NEB calculation	3	2847	Mar 10th 5:01 pm MattZ
calculation of electronic coupling for help	2	1990	Mar 7th 12:17 am Tfliu
Please suggest Ultrasoft Pseudopotential for Cerium	0	1519	Mar 6th 3:39 am Harsh Somani
NWChem Example	1	2848	Feb 21st 2:20 pm Philip007
CPHF convergence issues	0	1566	Feb 21st 1:51 pm MSiebert
DPlot: Failed to allocate values 0	2	1983	Feb 18th 12:28 pm Philip007
unit of energy used in NWChem	1	1919	Feb 18th 10:56 am Edoapra
What is the atom_index in Metadynamic block	1	1106	Feb 17th 6:34 pm Lyzhao
DPlot: Failed to allocate values 0	0	1107	Feb 17th 3:04 pm Philip007
Homo and Lumo energies	0	1311	Feb 16th 12:03 am Auwalu
Job not completed..	1	1588	Feb 7th 12:48 pm Edoapra
How to calculate the Free energy	1	2782	Feb 2nd 3:55 pm Mhiranya
DFT-NEB calculation stops give error	0	1892	Feb 2nd 11:52 am Sanjib
How to do transition state calculations using nwchem...	2	2333	Jan 30th 1:49 pm Mhiranya
ESP fit and bq charges	1	1603	Jan 30th 8:56 am Mhiranya
Kinetic energy from correlated density matrix	1	1718	Jan 24th 11:05 am Huub
Convergence problem...	7	2382	Jan 23rd 9:50 pm Mhiranya
How to do TDDFT calculations in solvent?	2	3241	Jan 17th 3:03 am Y.t.azar
appropriate units for mu when using range-separated functional?	1	1843	Jan 15th 9:22 pm Niri
User defined parameter file for molecular dynamics	0	1557	Jan 10th 3:42 am Christopher.lee
strange dipole derivatives	1	1950	Jan 7th 4:34 pm Edoapra
Periodic Molecular Dynamics/Moleulcar Mechanics	0	1341	Jan 7th 6:48 am Christopher.lee

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