[Pw_forum] format control in partialdos.f90

[Paolo Giannozzi]

Thank you for reporting this. It is already fixed in the current
development version (and soon-to-be-released stable version)

Paolo

On Wed, Dec 16, 2015 at 8:52 AM, hushujun <hushujun at 163.com> wrote:

> Dear QE developers:
>
> When I calculate the pdos using projwfc.x, I get the following results in
> prefix.pdos_tot
> ---------------------------------------------------------
> # ik
>  E (eV)  dosup(E)   dosdw(E)  pdosup(E)  pdosdw(E)
>     1
> -56.130  0.206E-02  0.206E-02  0.206E-02  0.206E-02
>     1
> ---------------------------------------------------------
>
> I found the following format control lines in partialdos.90, like line 166:
> ---------------------------------------------------------
>            WRITE (4,'("# ik   "), advance="NO"')
>
> ---------------------------------------------------------
>
> When the code is compiled, the compiler told me:
> ---------------------------------------------------------
> partialdos.f90(166): warning #8043: The extra characters in the format
> specification will be ignored.   ['("# ik   "), advance="NO"']
>            WRITE (4,'("# ik   "), advance="NO"')
> --------------------------------^
> ---------------------------------------------------------
>
> So It seems that the ' is placed in the incorrect position.
>
> When it is modifiled as:
> ---------------------------------------------------------
> WRITE (4,'("# ik   ")', advance="NO")
>
> ---------------------------------------------------------
>
> The output prefix.pdos_tot seems correct:
> ---------------------------------------------------------
> # ik    E (eV)  dosup(E)   dosdw(E)  pdosup(E)  pdosdw(E)
>     1 -56.130  0.206E-02  0.206E-02  0.206E-02  0.206E-02
> ---------------------------------------------------------
>
> What I use:
> QE version: 5.2.1
> Fortran compiler: Intel composer_xe_2015
>
> Thanks for providing the QE package.
>
> Regards
>
> Shujun Hu
>
>
>
>
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>



-- 
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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