[Pw_forum] Fermi surface

babderre at physics.auth.gr babderre at physics.auth.gr
Sat Apr 4 15:51:43 CEST 2009


Dear PWSCF users.

1-I calculated the fermi surface of Po without spin-orbit
     Zval = 6.00 with nbnd=7, It works fine

2-considering spin-orbital interaction Zval = 16.0 ,nbnd= 24
  i get error , i think this is related to nbnd =24
  with  three lines !!

so I want to know the change of which parameters lead
to this problem?

thanks in advance!
belabbes.
http://parsem.physics.auth.gr/belabbes.htm







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