[Pw_forum] GGA+U

S. K. S. sks.jnc at gmail.com
Wed Jul 14 01:27:54 CEST 2010


 Dear QE USERS,

 Yes, the code works fine when I change the name
 of element from "eu" to "Eu" inside the pseudopotential file.
 Thank you all for your kind reply.

 One more question : what is Hubbard_alpha ?
  Is this Lagrange multipliers? What is its typical value?
  Is this possible to specify J & U both, in the input file of the newest
version
  of QE code or  is this always U_eff ?

 regards,
 Saha SK
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