Hello,
I am runing castep (GGA) to determine the band gap energy. However, I cannot find the position of VBM and CBM using the outfile file. May I know if there is any way to obtain these values? Moreover, is it possible to determine the type of a semiconductor (n or p type) using DFT?
Thanks in advance
I am runing castep (GGA) to determine the band gap energy. However, I cannot find the position of VBM and CBM using the outfile file. May I know if there is any way to obtain these values? Moreover, is it possible to determine the type of a semiconductor (n or p type) using DFT?
Thanks in advance