Hi,
--- On Wed, 1/27/10, vtmtrinh at caltech.edu <vtmtrinh at caltech.edu> wrote:
> Therefore, I cannot use the current coordinates that I have
> for the input to run pw.x.
You can use "angstrom" keyword in Atomic_Positions if you have them in
Cartesian and Angstrom, or "alat" - again, Cartesian, but wrt the lattice
parameter a_0.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
Russia,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden
Condensed Matter Theory Group, Uppsala University, Sweden
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
