2a On Fri, Apr 22, 2011 at 2:59 PM, Padmaja Patnaik < padmaja_patnaik at yahoo.co.uk> wrote:
> 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110422/d38f745f/attachment.htm