[Pw_forum] problem with layer dos

2013-12-06 Thread Halima Zaari
of magnetism and physics of high energy Faculty of Sciences in Rabat - Morocco Email: * halimazaari at gmail.com * -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131206/bdafe5c6/attachment.html -- next part

[Pw_forum] fc file

2013-12-06 Thread Bramha Pandey
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[Pw_forum] fc file

2013-12-06 Thread Paolo Giannozzi
On Fri, 2013-12-06 at 11:25 +, Alex Granov wrote: > In QHA examples there is a file called *.fc and it seems that > the file should be present to compute thermodynamics properties. > Is fc file related to force constants it is > and how we can prepare it ? phonon calculation for a grid

[Pw_forum] fc file

2013-12-06 Thread Alex Granov
-Alex Granov?? ??-??? (MIPT)Moscow, Russia -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131206/8cbb62df

[Pw_forum] Band structure with hybrid functional

2013-12-06 Thread Alexandr Fonari
Dear QE community, I have read the PW/examples/EXX_example/README file: " ... Band structure ? yes and no. Obviously one computes wfc during the scf cycle and their eigenvalues are printed in output. This can be sufficient to draw a band structure or a DOS, but the problem arises when one

[Pw_forum] Lattice Parameter of Nickel

2013-12-06 Thread Elliot sarpong Menkah
: elliotsmenkah at gmail.com ??? ??? ??? ??? elliotsmenkah at hotmail.com webpage: http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry=806=2754 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131206/83ba5edc