<html>Dear all,<br />I'm performing a charge +2 supercell calculation for a silicon divacancy.<br />The highest occupied and lowest unoccupied electronic states are very close:<br />6.1233 and 6.1405 so that I have to use a smearing for the scf calculation.<br /><br />Now I need to obtain the wfc and electronic states without smearing.<br /><br />What do you suggest to me?<br /><br />I already try all the possible combinations of the following parameters:<br />mixing_mode, mixing_beta, startingwfc.<br /><br />Regards,<br /><br />Antoine Jay</html>