tell me whether my input file
and structure is correct or not
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ntier, El reino de este mundo, (1949).
Translate from spanish here
http://translate.google.com/?hl=&ie=UTF-8&text=&sl=es&tl=en
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Williamson
Research Assistant
Physics Department
Boise State University
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On Tue, 2011-09-27 at 07:24 +0100, Padmaja Patnaik wrote:
> Is it possible to calculate effective mass using k.p method in quantum
> espresso?
no, it is not implemented. Anyway, as far as I remember, the k.p method
works for local (pseudo)potentials only
P.
--
Paolo Giannozzi, IOM-Democritos
Hi,
I had a technical question on performing post process functions like bands.x. I
use a supercomputer to run my scf calculations. Once done, I am interested in
transferring the prefix.save file into my QE on my laptop (same QE version as
the one installed in the mainframe of the supercomputer). W
ere anyway to make mpif90 use ifort ? or is
there any other parallel compiler using ifort?
Ahmad Yassin
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On Sep 26, 2011, at 8:30, Paolo Giannozzi wrote:
> energy = 0.00 => "use energy of the bound state"
> energy /=0.00 => "use specified energy for pseudization"
> It is clumsy and unclear but it was done that way and now it cannot
> be changed
> without breaking existing data. Anyway, it is documen