[Pw_forum] calculation of magnetization at each atom site of a super cell

Prithwish Nandi pnspeaks at sify.com
Fri Mar 16 08:14:46 CET 2007


 Hi,

   In PWSCF,is it possible to calculate the contribution by each atom to the total magnetization of a super cell? If it possible, how it can be done???

  Prithwish Nandi
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