On Thu, Feb 4, 2016 at 1:32 PM, Manjusha Chugh <chughmanju...@gmail.com> wrote:
I want to calculate the band structure of a semiconductor, only in the > vicinity of the Fermi Level. Basically, I want to reduce the value of the > parameter 'nbnd'. I am interested to see the bands near the Fermi Energy, > not the complete band structure. Is there a way to do the same in QE? > no Secondly, 'bands' calculation in QE generates a huge amount of data. (Yes, > I also have a fairly large system, but still the data stored in 'outdir' is > large.) Is there a way to reduce the storage need of data for 'bands' and > then bands.x calculations? > You may use disk_io = 'none' if you do not not need to store wavefunctions for later usage Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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