Thank you Prof. Paolo
Manjusha On Thu, Feb 4, 2016 at 12:04 PM, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > 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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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