Dear siesta users, According to helpful advices of some friends (Nick, Kamaraj,..), I reduced geometry to unit cell for calculation of ZGNR band structure. Whether we have to use minimal unit cell for doped ZGNR or not?
Kind regards, Maryam Jamaati
Dear siesta users, According to helpful advices of some friends (Nick, Kamaraj,..), I reduced geometry to unit cell for calculation of ZGNR band structure. Whether we have to use minimal unit cell for doped ZGNR or not?
Kind regards, Maryam Jamaati