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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	1781	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
Precision of the parameters in trj file Started By : Guo	2	118	Apr 13th 12:30 am Guo
NaNO3 optimization does not converge Started By : Deburgess	0	153	Apr 8th 2:09 pm Deburgess
IR frequencies of NaNO3 crystal Started By : Deburgess	0	145	Apr 6th 7:44 pm Deburgess
Problem doing calculation with ~20000 bqs Started By : John b	2	151	Mar 16th 10:46 am Niri
Grid integrated density problem Started By : Ccamacho	3	296	Mar 7th 1:24 pm Bert
Electron transfer between fragments of a conjugated molecule Started By : Mikewykes	1	234	Mar 7th 12:10 pm Bert
DFTB-D in nwchem Started By : Lmyiop	1	424	Mar 7th 12:02 pm Bert
did anyone know how to deal with the "Dimension mwm too small" error in md Started By : Dulikai	1	235	Mar 7th 12:00 pm Bert
Electrostatic Potential Fit Started By : P99	0	253	Mar 6th 9:58 am P99
how to plot the potential distribution including internal HF, XC etc, and external E-field etc Started By : Xiaotianzhou	1	200	Mar 2nd 7:48 am Niri
PDCharges Started By : P99	12	440	Feb 17th 6:54 pm Bert
COSMO convergence Started By : P99	7	315	Feb 16th 7:27 am P99
I can't post in the compiling session Started By : DavT	4	405	Feb 9th 4:44 am Marcindulak
includestress vs includelattice Started By : Jbaltrus	1	251	Feb 7th 12:30 pm Bylaska
electron transfer: how can I calculate products structure? Started By : Guest -	3	468	Feb 1st 10:41 am Bert
MBPT4 = MP4 Started By : Guest -	1	199	Feb 1st 10:39 am Guest -
TDDFT output question Started By : Rayamaranth	4	306	Feb 1st 10:37 am Guest -
plane wave and band: why(how) are they different? Started By : Jbaltrus	3	259	Jan 30th 4:28 pm Guest -
when is 6.1 out? Started By : Jbaltrus	3	455	Jan 29th 2:42 pm Jbaltrus
topology problem Started By : Bmaiti	3	372	Jan 26th 1:18 pm Bert
Topology Started By : Bmaiti	2	303	Jan 26th 10:59 am Bert
source code Started By : Bmaiti	1	278	Jan 26th 10:57 am Guest -
Can geometry optimization be done together with spin constrain (using cdft)? Started By : Xiaotianzhou	0	254	Jan 20th 12:57 am Xiaotianzhou
How can I add a point charge near the molecules in QM calculation Started By : Guest -	1	279	Jan 18th 9:57 pm Niri
How to get the open shell singlet state (singlet biradical) of ozone (O3) Started By : Guest -	13	1301	Jan 12th 1:03 am Guest -

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