Hi all I have a doubt regarding the value of celldm(1) in the input file for a supercell calculations. Celldm(1) is the lattice constant value. If I am using a supercell constructed by expanding the original lattice constant 'a'? 2 times in all direction, then what will be the value of celldm(1) now? Will it be the original lattice constant 'a' or '2a'?
Thanks in advance Regards Padmaja Patnaik Research Scholar Dept of Physics IIT Bombay Mumbai, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110422/603f9c08/attachment.htm
