[Pw_forum] fixed magnetic moment calculation

明文美 iphyboy at hotmail.com
Fri Apr 18 11:12:07 CEST 2008


Dear users:
 
   I know that PWSCF cam carry out calculation of fixed moment in a cell as well as its direction,
but now I want to do a fixed magnetic moment AFM calculation for the sake of model Hamiliton investigation,i.e. the magnetic moment of the neighboring atom has the same value but in the opposite direction.
 
  Any suggestion is highly appreciated.
 
Wenmei 
 
 
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