DOS with TM and PAW datasets
Posted: Tue Jun 11, 2013 12:44 am
Dear all,
I'm using abinit 7.2.1. I'm comparing the projected DOS I get using TM and PAW datasets. In the DOS_AT???? files, I see that the Fermi energy is not zero but it depends on the dataset I use.
My question is: the DOS printed in the DOS_AT* files is already shifted in such a way that the Fermi level is at 0 or it is printed as it comes from the calculation and then, eventually, I have to shift the energy by the amount printed in the header as a comment to have the Fermi level at zero?
Thanks a lot in advance for your kind reply.
Best
Antonio
I'm using abinit 7.2.1. I'm comparing the projected DOS I get using TM and PAW datasets. In the DOS_AT???? files, I see that the Fermi energy is not zero but it depends on the dataset I use.
My question is: the DOS printed in the DOS_AT* files is already shifted in such a way that the Fermi level is at 0 or it is printed as it comes from the calculation and then, eventually, I have to shift the energy by the amount printed in the header as a comment to have the Fermi level at zero?
Thanks a lot in advance for your kind reply.
Best
Antonio