[Pw_forum] plotband variables meaning

[Miguel Martínez Canales]

Dear Hashem,

Hashem Al-Yamani escribió:
> to plot the band structure for the Si :
> 
> sibands.dat
> -6.0 10
> sibands.xmgr
> sibands.ps 
> 6.255
> 1.0 6.255

First line is the output from running pp.x, that is, filband.

The second line defines the range of energies in which the energies will be 
plotted.

The third line specifies, if I'm not wrong, a file to write a simple ASCII 
output, easily visualized using programs such as xmgrace. The output, 
though, specifies it's just xmgrace format.

The fourth line is the filename for the PostScript output.

The fifth line is the Fermi energy.

The sixth line defines the delta E (i.e. the ticks in the graph) and the 
reference energy (E=0 in the graph).

This info is mostly available on the output, at results/si.plotband.out. 
You might also play with the values, to see what they affect. Also, the 
ticks and the fermi energy lines probably only affect the postscript file.

In short,

filband
Emin   Emax
xmgrace.output
output.ps
Efermi
deltaE E0

By the way, the forum would be grateful if you also included your current 
affiliation. I hope this helps,

Miguel



-- 
----------------------------------------
Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437
----------------------------------------

  "If you have an apple and I have an apple and
  we exchange these apples then you and I will
  still each have one apple. But if you have an
  idea and I have an idea and we exchange these
  ideas, then each of us will have two ideas."

    George Bernard Shaw