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 <[email protected]> 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 > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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