[Pw_forum] about disordered structures

sun jian jasonsun98 at hotmail.com
Mon Oct 9 08:32:52 CEST 2006


Dear all,

whether pwscf can be used to calculate disordered crystals within virtural 
crystal approximation ? If it can, how to specify the lattice, i.e. atom 
positions and compositions ?

Thank you very much in advance !

Best regards,
===============================================
Jian SUN 
Physics Dept. of Nanjing University 
National Lab. of Solid State Microstructures 
22 Hankou Road, Gulou District 
Nanjing, Jiangsu Province 
210093 
China 
===============================================





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