[Pw_forum] Version 5.2.1 for the PP program

Paolo Giannozzi p.giannozzi at gmail.com
Mon Sep 28 03:08:27 CEST 2015

Hi Natalie

you may safely revert to the old syntax. Apparently there are still some
compilers that do not handle properly the advance="no" option in PRINT


On Mon, Sep 28, 2015 at 12:55 AM, Holzwarth, Natalie <natalie at wfu.edu>

> In testing the new 5.2.1 version of the program, I noticed that one change
> from 5.1 was in the partial density of states output from partialdos.f90
> for the title line.
> For example, in version 5.1, the title line for the pdos output used
> WRITE(4,'(" pdos(E)   ",$)')
> while in version 5.2.1 the same pdos output is changed to
> WRITE(4,'(" pdos(E)   "), advance="NO"')
> For our intel compiler, the 5.1 version keeps the title line on a single
> line, while the 5.2.1 version puts each piece of the title line on a
> different line.   I guess it is not processing the  advance="NO"
> statement.    Since this title line is making the postprocessing difficult,
> I am tempted to put those write statements back to the 5.1 version, or
> perhaps there is a better solution.    Thanks in advance for your advice on
> this.       Natalie
> N. A. W. Holzwarth                                       email:
> natalie at wfu.edu
> Department of Physics                                  web:
> http://www.wfu.edu/~natalie
> Wake Forest University                                 phone:
> 1-336-758-5510
> Winston-Salem, NC 27109 USA                     office: Rm. 300 Olin
> Physical Lab
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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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