[Pw_forum] occupancy number

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Wed Sep 2 12:10:07 CEST 2009


Dear all,
 Can anybody tell me how to know whether a sate is fully or partially filled from the calculations using PWSCF. Also, how to know what is the number of occupancy in a state and the spin of the electrons in  a particular state.

Thanks in advance,
regards

Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India


      
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