[Pw_forum] Reg: Tetra_example in QE_6.1 example PHnon/tetra_example

[Peram sreenivasa reddy]

Dear PWSCF,

I can able to run the tetra_example file in the
Example/PHonon/tetra_example.

After successful run i am getting the following files.

al.dyn0           al.dyn1.elph.1  al.dyn3.elph.3  al.dyn5.elph.5
al.dyn7.elph.7  al.dyn9.elph.9  al.ph.out   lambda.out  TMP
al.dyn1           al.dyn2         al.dyn4         al.dyn6
al.dyn8         al.elph.in      al.scf.in
al.dyn10          al.dyn2.elph.2  al.dyn4.elph.4  al.dyn6.elph.6
al.dyn8.elph.8  al.elph.out     al.scf.out
al.dyn10.elph.10  al.dyn3         al.dyn5         al.dyn7
al.dyn9         al.ph.in        lambda.in

with these files i want to plot the phonon dispersion within the BZ.
When i try to use q2r.in as shown bellow

 &input
  zasr='simple',  fildyn='al.dyn', flfrc='Al444.fc', la2F=.true.
 /

It is giving error in q2r.out like bellow.

    Program Q2R v.6.1 (svn rev. 13369) starts on  4May2017 at  7:52:41

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Serial version

     reading grid info from file al.dyn0
  reading force constants from file al.dyn1
  nqs=            8
 q=  -0.12500000  0.12500000  0.12500000

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine init (1):
     q not allowed
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

What i need to do to overcome the error and get the phonon dispersion plot.
And also i want to plot λq and ωq around the different high symmetry points
within the BZ.

Please suggest some way to get things.

Thanking you.


-- 
*P.V.SREENIVASA REDDY*

*Research ScholarDepartment of Physics*
*Indian Institute of Technology*
*Hyderabad*
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