[Pw_forum] ion problem

Rudra Banerjee bnrj.rudra at yahoo.com
Tue Nov 13 20:04:19 CET 2007


dear PWSCF users,
I am new to pwscf and stuck in a question......is there any way to put anion   or cation    as a unit?the total cluster is charge less but have two different types of ion.......can anyone tell me what to do in this situation? 
Regards
 
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Rudra
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