[Pw_forum] celldm

[Paolo Giannozzi]

On Fri, 2012-09-21 at 10:10 +0100, Sakhrawi Taoufek wrote:

> I made ​​a pw.x calculation for the compound FeRh to estimate the value of celldm(1), 
> the problem is that I always find a value that doubles the expected value

you know that celldm(1) is in Bohr radii and not in Angsttrom, don't you?

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy