[Pw_forum] plotband variables meaning

Miguel Martínez Canales wmbmacam at lg.ehu.es
Wed May 23 09:14:40 CEST 2007

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 

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,

Emin   Emax
deltaE E0

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


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

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