[Pw_forum] Error in routine pw_readfile (1): error opening xml data file

[Paolo Giannozzi]

On Sat, Jul 11, 2015 at 6:35 AM, Ka Yi Tsang <kayitsang2 at hku.hk> wrote:

>
> *Error in routine pw_readfile (1): error opening xml data file*
>
> My files:
> [...]
>     calculation='bands' ,
>

you need to perform a self-consistent calculation before computing bands

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