General Topics

Announcement's	Replies	Views	Last Action
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
SARC-ZORA @ nwchem 6.0	1	1742	Apr 8th 5:59 pm Huub
how to put a charge in a certain atom	1	1584	Apr 8th 5:37 pm Huub
failed convergance for a single atom	1	2059	Apr 8th 5:27 pm Huub
molecular orbitals	3	1567	Apr 4th 1:36 pm Sujitha
Numerical result out of range	0	2613	Mar 27th 1:20 pm Aggie2015
NWCHEMRATE	0	1409	Mar 25th 1:14 pm Manu nwchem
NWChem 6.3 GPU support	1	5230	Mar 24th 12:32 pm Edoapra
Cannot post to ECCE forum	1	1265	Mar 19th 12:17 pm WillEverett
All-Electron calculation for Gold	2	2562	Mar 19th 12:52 am Elvis
dummy charge for help	1	1533	Mar 18th 5:23 pm Tfliu
ET model for help	5	1647	Mar 17th 5:06 pm Tfliu
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

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