[Pw_forum] (no subject)

[Paolo Giannozzi]

On Sep 7, 2011, at 15:16 , GAO Zhe wrote:

> Oh, my mistake, I forgot that bohr is used in QE. So, if you wanna  
> keep
> CELL_PARAMETERS, you have to set celldm(1) = 1.889725989.

while this is possible and legitimate, I do not think it is a wise move
to fill "celldm(1)" (or "a") with strange numbers instead of the lattice
parameter

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222