[Pw_forum] GRID example of e-ph

On Jul 11, 2012, at 2:31 , Peng Tao wrote: > OK. Thank you very much. What a pity that my QE version is 4.3.2. > I'll update it soon. this is a good idea anyway, but note that the GRID example is present in the 4.3.2 version as well, in examples/GRID_example. Also note that there is no

[Pw_forum] q not allowed in example07

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[Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point

Haiyuan PhD Candidate Haiyuan Cao Department of Physics, Fudan University, China Email: raincoatrun at gmail.com Phone?+86 21 65643523 -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120711/33857432/attachment.htm

[Pw_forum] phonon eigenvector units

On Jul 10, 2012, at 17:50 , David Miller wrote: > I wonder what is the unit of eigenvectors ? adimensional: they are normalized to 1 > I noticed that the dynamical matrix is written in cartesian axes > (I assume it means in the units of alat) no, it means "in cartesian axis", i.e. wrt

[Pw_forum] Calculation of Gibbs free energies

out the q2r calculation correctly. > > Thank you very much in advance, > > Yours sincerely, > > Torstein Fjermestad, > University of Oslo, > Norway > > > > > > > > > > > >___ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120711/534bf766/attachment.htm

[Pw_forum] (no subject)

Dear all I have problem in Landauer Formula and my problem is: What is meaning of channels in "Landauer Formula" and Why "Transmission" is unit? thanks a lot Bani Adam Faculty of Science Egypt

[Pw_forum] q not allowed in example07

Thank you for your reply! My QE version is 4.3.2. "wf_collect=.true." is just set to run parallel, and I keep other parameters unchanged. And I find that the error always exists in both serial and parallel cases. The error did not happen when I tried to calculate the example07 for the first

[Pw_forum] q not allowed in example07

On Jul 11, 2012, at 13:50 , Peng Tao wrote: > The error did not happen when I tried to calculate the example07 > for the first time > about one year ago. and if you try now? without changing anything in example07? P. --- Paolo Giannozzi, Dept of Chemistry, Univ. Udine, via delle Scienze 208,

[Pw_forum] Plotting Band Structure by using Xmgrace

.D Student Indian School of Mines(ISM) > Dhanbad, INDIA. > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120711/149f257f/attachment-0001.htm