[Pw_forum] SOC

Bhagawan Sahu brsahu at physics.utexas.edu
Wed Apr 12 19:43:53 CEST 2006


Dear pwscf users,

  Is it true that

the  bulk spin-orbit coupling (SOC) calculation is done using a 
relativistic 
PP for the atom/ion (RRKJ scheme and Andrea Dal Carso's PRB paper) and the 
SOC effect is not included self-consistently on the valence states during 
the scf cycle?

Sahu 




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