Re: [Pw_forum] Fwd: bands calculation in QE

2016-02-04 Thread Manjusha Chugh
Thank you Prof. Paolo Manjusha On Thu, Feb 4, 2016 at 12:04 PM, Paolo Giannozzi wrote: > On Thu, Feb 4, 2016 at 1:32 PM, Manjusha Chugh > 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

Re: [Pw_forum] Fwd: bands calculation in QE

2016-02-04 Thread Paolo Giannozzi
On Thu, Feb 4, 2016 at 1:32 PM, Manjusha Chugh 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 b

[Pw_forum] Fwd: bands calculation in QE

2016-02-04 Thread Manjusha Chugh
Dear QE users I have a couple of doubts. 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 th

[Pw_forum] Fwd: bands calculation in QE

2015-12-25 Thread Manjusha Chugh
Please suggest something for the following. --Manjusha Research Scholar IIT Kanpur, India Dear QE users I have a couple of doubts. 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 'nbn