Namaskar Sir, Parameters: a=2.50 b=2.50 and c=15 space group :194 without Spin Orbit coupling I am doping Be in 2d hBN i.e by creating supercell 3x3x1 After doping Be ,while initialising space group changes from 194 to 63 but everything is running great for rmtkmax=5 ad k points =1000 but when I am increasing value of rmt to 6 or 7 error shows insufficient memory what to do in that case?? Also sir what is the significance of flat bands. Regards Ms. Neeraj Kulhari
_______________________________________________ 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
