[Pw_forum] regarding phonon dispersion

[Kondaiah Samudrala]

Dear all,

I am running phonon dispersion for YSn3, which is crystallizes in cubic
structure. While running the programme i dont have any imaginary
frequencies in my o/p file (ph.out). But using plotband.x tool  for
plotting dispersion,  my final plot got negative axis exactly starting from
the value of Fermi energy. Below i am sending the plotband.x details

Reading   12 bands at    101 k-points
Range:    0.0000  133.5007eV  Emin, Emax > 0 140
high-symmetry point:  0.0000 0.0000 0.0000   x coordinate   0.0000
high-symmetry point:  0.5000 0.0000 0.0000   x coordinate   0.5000
high-symmetry point:  0.5000 0.5000 0.0000   x coordinate   1.0000
high-symmetry point:  0.0000 0.0000 0.0000   x coordinate   1.7071
high-symmetry point:  0.5000 0.5000 0.5000   x coordinate   2.5731
high-symmetry point:  0.5000-0.5000 0.5000   x coordinate   3.5731
high-symmetry point:  0.0000 0.0000 0.5000   x coordinate   4.2802
output file (xmgr) > YSn3.xmgr
bands in xmgr format written to file
YSn3.xmgr

output file (ps) > YSn3.ps
Efermi > 13.2559
deltaE, reference E (for tics) 30, 13.2559
bands in PostScript format written to file YSn3.ps  .

Is there any error in my calculation or any bug in plotband.x. Because the
same o/p YSn3.xmgr from this plotband.x shows nicely with xmgrce shows.

please help me  in this. Thanks in advance

S.Appalakondaiah
Research scholar
University of Hyderabad
Hyderabad
India
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