[Pw_forum] PlotPhon Problems

[Eyvaz Isaev]

Dear Paul, 

I apologize very much not responding yet to your previous mail. In fact, I have 
it written, but did not send in time, but will send as soon as possible.

As concerns this error, most likely it is caused by a mistake in   Lines file. 
To fix it please find 


 /PlotPhon/Scripts/Lines where you can find 

 elif [ $cell == 8 ]; then

    b2a=`head -1 $FC_name.fc | cut -c 22-33 `

and change  22 to 23.

Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: W2AGZ <w2agz at w2agz.com>
To: pw_forum at pwscf.org
Sent: Tue, January 11, 2011 9:28:29 PM
Subject: [Pw_forum] PlotPhon Problems


I have successfully run all four examples supplied in the PlotPhon directory, 
including some I set up myself.
 
However, on attempting to process a simple orthorhombic *.fc file, the following 
occurred:
 
Plot Phonon Dispersion Relations
Eyvaz Isaev
IFM, Linkoping University, Sweden
Moscow State Institute of Steel and Alloys, Russia
eyvaz_isaev at yahoo.com, isaev at ifm.liu.se
8
(standard_in) 1: syntax error
0 1.0200000
3.0600000
Simple Orthorhombic
At line 47 of file K_for_bands.f90
Fortran runtime error: Bad real number in item 1 of list input
cat: ph.grid: No such file or directory
Recalculating omega(q) from C(R) ...
At line 297 of file matdyn.f90
Fortran runtime error: End of file       
 
The first line of the .fc file is
  4   13  8  7.2200000  1.0200000  3.0600000  0.0000000  0.0000000  0.0000000    

 
Could this be a compiler problem?  I’m using gfortran.  Yet all other examples 
execute correctly.
 
-Paul Grant
IBM Research Staff Member Emeritus


      
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