[Pw_forum] charged cells

Karoly Nemeth nemeth at anl.gov
Fri Jul 21 17:18:02 CEST 2006


 
Dear PWSCF users,
 
I want to make PWSCF calculations on charged cells (where the sum of 
charges is not zero for the simulation cell). I am looking for useful 
references to learn what I should pay attention to for such calculations. 
I appreciate your suggestions for such references in advance, 
best regards:
 
Karoly 




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