I hope you have changed the "0" with the atom-number you want to emphasisze.
And: For a large cell with rather delocalized electrons it might be that you have to enlarge the size parameter considerable. Try, just for fun, 0.2 --> 5.0 and check if you see anything.
PS: I assume, that x spaghetti does not give any message about enf-of-file of case.qtl, .... ?
Am 23.11.2015 um 20:21 schrieb mitra narimani:
I used number 2 for line switch, the problem of my band structure is that in line 0 1 0.2 # jatom, jtype, size of heavier plotting when I change the jatom or jtype or size of heavior plotting, my band structure doesnt have any change and remain same as defult and s, p, d, f characters not be shown, however I run x lapw2 -p -c -so -band -qtl.My case has 96 atoms with impurity doped it by 3%. Is the version 14.2 able to solve this problem which you suggest me befor? _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-- -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
