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
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