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 > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > >