[Thermo_pw-forum] a few questions regarding thermo_pw

[Suza W]

Dear All,

I am having following questions regarding thermo_pw :

 (1)

 plot  "output_pband.dat.g1.1.1" u ($1*xscale-xshift):($2*fact-eref)*gfact
w l lw band_lw lc rgb color_red, \
 "output_pband.dat.g1.1.2" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_green, \
 "output_pband.dat.g1.1.3" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_blue, \
 "output_pband.dat.g1.1.4" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_cyan, \
 "output_pband.dat.g1.2" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.3.1" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.3.2" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_green, \
 "output_pband.dat.g1.3.3" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_blue, \
 "output_pband.dat.g1.3.4" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_cyan, \
 "output_pband.dat.g1.4.1" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.4.3" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_blue, \
 "output_pband.dat.g1.4.5" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_magenta, \
 "output_pband.dat.g1.5" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.6" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.7" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.8" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \
 "output_pband.dat.g1.9" u ($1*xscale-xshift):($2*fact-eref)*gfact w l lw
band_lw lc rgb color_red, \


What is the underlying physics for using the same color (for example,
color_red)  for all  the g1.n.1  outputs ?

(2) Why I am getting the following error even when max_geometries=1000000 ?

The code stops because max_geometries is****


(3) I was checking all the geometries and I found that
a few phonons are imaginary only for geometries, too much expanded.
Does there exist any possibilty presently in the thermo_pw code, which can
restrict geometries with a lower expansion to get rid of the imaginary
phonon issue ?

Thanks and regards,
Suza W.