[Wien] Number of iteration (InN)

U P Verma upv at airtelbroadband.in
Thu Jun 7 04:08:37 CEST 2007


Respected users,

I want ur help in case InN band gap I have run scf cycle for 10
iteration in case of InN bulk. when I observed the case.scf file it
generates emin-emax till 2nd iteration the band gap is 1.0 after that
for next 8 iteration it is zero and splitting of energy observed. I am
not sure is it ok or not.

Please help me if possible
Thanks in advance



More information about the Wien mailing list