[Wien] Units of k-vectors in the case.spaghetti_ene file

Moritz Binder moritz.binder.ka at googlemail.com
Mon Jun 20 12:15:55 CEST 2011


Dear Wien2k users,
I'm trying to calculate the gamma-point effective mass by fitting a parabola
to the data given in the file case.spaghetti_ene for a dense k-mesh around
the gamma-point.
Can anybody confirm that the units of the fourth column in this file
(corresponding to the absolute value of the k-vector) are 1/bohr?
Tank you in advance!
Moritz Binder

--------------------------------------------------------
Ecole Polytechnique
Palaiseau, France
Centre de Physique Theorique (CPHT)
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