[Pw_forum] How to choose the energy0 value while doing a Ballistic conductance using the code pwcond.x

[Manoj Srivastava]

Hello, 
 I just wanted to stress the fact that when you use energy0=0, your
calculation is being done at Fermi energy. You can look up the
code in do_cond.f90 for more details. nenergy is number of energy steps,
denergy is energy of each step. Again from  do_cond.f90 

        !   the array of energies is automatically formed
        DO ien = 1, nenergy
        earr(ien) = energy0 + (ien-1)*denergy
        tran_tot(ien) = 0.d0
        ENDDO

HTH 
Manoj Srivastava 
Department of Physics, 
University of Florida 

On Tue, 7 Sep 2010, mohsen
modaresi wrote:

> Dear Dimpy Sharma,
> pwcond.x give the Transmission probablity as a function of energy. energy0
> determine the minimum of energy in the energy axis.
> 
> Mohsen Modarresi
> Ferdowsi University
> 
> 
> 
> On Tue, Sep 7, 2010 at 10:50 PM, Dimpy Sharma <dimpy.sharma at tyndall.ie>wrote:
> 
> >
> > Hi there,
> >
> > My warm greetings to all of you. I would like to know how do we choose the
> > energy0 (inital energy ) while doing a ballistic conductance using
> > pwcond.x.As <http://pwcond.x.as/> from the example and manual it mentions
> > as the inital energy,which energy does it refer to?is this the total energy
> > of the system ?I could not follow the term nenergy as well.Any advice would
> > be appreciated.
> >
> > Thanks and regards
> >
> > Dimpy
> > Dimpy Sharma
> > ETG-Group
> > Tyndall National Institute
> > Cork
> >
> >
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>