[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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