[Pw_forum] Doubt in celldm(1)

[Padmaja Patnaik]

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://lists.quantum-espresso.org/pipermail/users/attachments/20110422/603f9c08/attachment.html>