[Pw_forum] QHA calculated error !

[lucking-pine]

Hi,Paolo
    I get it. I change the phdos.in
0.75
Zn O
to
0.75
Zn Zn O O.
But the phdos.in of AlAs of example is
Al As,
and is not
Al Al As As.
Why? Could be anyone known?
Bests
Pine
2011/9/9 Paolo Giannozzi <giannozz at democritos.it>

>
> On Sep 9, 2011, at 10:47 , lucking-pine wrote:
>
> > forrtl: severe (24): end-of-file during read, unit 9, file /opt/
> > espresso4.2.1/QHA/Examples/ZnO/phdos.in
>
> it shouldn't take much to locate an error when it is so clearly
> described
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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