[Pw_forum] Version 5.2.1 for the PP program

Holzwarth, Natalie natalie at wfu.edu
Mon Sep 28 00:55:27 CEST 2015


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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