[Pw_forum] Input

[Paolo Giannozzi]

On Mon, 2014-10-27 at 16:57 +0000, Albert Aniagyei wrote:

>         ntyp = 4 ,

no, 5 :

> ATOMIC_SPECIES
> O    15.9940  1.  O.pbe-van_ak.UPF
> La  138.9054  1.  La.pbe-nsp-van.UPF
> Mn1   54.9380 1.   Mn.pbe-sp-van.UPF
> Mn2   54.9380 1.   Mn.pbe-sp-van.UPF
> Sr   87.6200  1.  Sr.pbe-nsp-van.UPF

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