[Pw_forum] Doubt in celldm(1)
sxu2 at ncsu.edu
Fri Apr 22 21:00:41 CEST 2011
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
> Padmaja Patnaik
> Research Scholar
> Dept of Physics
> IIT Bombay
> Mumbai, India
> Pw_forum mailing list
> Pw_forum at pwscf.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users