Dear Users,<br> I read userguide and plot my band structure according to that.<br>The process is <br>after a successful scf<br> making case.klist_band<br> x lapw1 -band<br> x lapw2 -qtl -band<br> editing case.insp<br>
x spaghetti<br> plot ...<br><br>my questions:<br><br>1- I saw case.energy but I want to know from which file I can calculate band gap and band width exactly and how.<br><br>2. Is there any difference between bandstructure of one case with the same case.klist_band but different case.klist ?<br>
<br>Thanks in advance<br>Samaneh Javan<br><br><br>