Mansoureh Pashangpour wrote: > Dear all > I have calculated DOS and Bandstructure for a system. > I expect to find similar gap from two runs. > But they have 0.4 eV difference with each other. What is the root of > this differenc?
Maybe the gap is not at the k-point where you expected it to be? Maybe something else... how to guess with such a little of information on your system (as well as about your affiliation). GS > Thanks > Pashangpour > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
