[Pw_forum] error band structure of ZnO
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Fri Oct 21 09:16:37 CEST 2011
In data 21 ottobre 2011 alle ore 07:50:39, mohnish pandey
<mohnish.iitk at gmail.com> ha scritto:
> The automatically generated k-points may not be in the high symmetry
> direction in which one may want to plot the band structure. Am I right?
Indeed, i did not notice it was a band calculation.. yet the points chosen
by Debbichi are not forming a typical BZ path either; I guess everybody is
free to put his k-points wherever he wishes :-)
--
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www.impmc.upmc.fr/~paulatto/
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