[Wien] Help Required BandStructure Xmgrace 999

[Ali ALLAM]

Dear All

I am Ali Allam

I have a question about Band Structure, and and i will be thankful if you help me

 My question is: I want to calculate the band structure of a large phase

The following case.insp was used:


 ### Figure configuration
5.0       3.0       # paper offset of plot
10.0   15.0      # xsize,ysize [cm]
1.0        4         # major ticks, minor ticks
1.0        1         # character height, font switch
1.1     2    4      # line width, line switch, color switch
 ### Data configuration
 -2.2    2.2   2       # energy range, energy switch (1:Ry, 2:eV)
 1        0.74594    # Fermi switch, Fermi-level (in Ry units)
 1        999            # number of bands for heavier plotting 1,1
 0      1      0.2       # jatom, jtype, size of heavier plotting


When i do : xmgrace case.bands.agr, the plot will stop on -1.28 ev. Therefore, i do not see the positive bands

However, in the file case.spaghettti_ps all the band structures (positive and negative) are plotted

After searching in the files generated by "x spaghetti -p", i detect that the -1.28 ev seen in case.bands.agr corresponds to the upper band number 999,

My goal is to see all the bands in case.bands.agr using xmgrace

 However, when i change the parameter 999 in case.insp and i set it to 2000 (for example), the same behavior
will also be seen in case.bands.agr

My question is how to go upper than the band number 999 to see all bands (positive and negative in case.bands.agr) ?

Waiting for your help, i would to thank you all

Sincerely yours

Ali ALLAM
PhD in physics of materials
Aix-Marseille University
Av Escadrille Normandie-Niemen
Marseille 13013, France

 		 	   		   		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130710/e9edcfae/attachment.htm>