I want to make a supercell with some 100 atoms or more for Fe80B20 (80 and 20 are atomic percent for Fe and B ), i want to quenched this system at high temperature to study the change in electronic structure,do anyone have an idea about this,please tell me
Anik shrivastava Senior Research Fellow Naval Materials Research Lab,DRDO Mumbai-400085 India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130326/7b489582/attachment.html
