Page 1 of 1

DOS with TM and PAW datasets

Posted: Tue Jun 11, 2013 12:44 am
by antonio
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

Re: DOS with TM and PAW datasets  [SOLVED]

Posted: Tue Jun 11, 2013 9:03 am
by amadon
Dear Antonio,

Yes you have to shift the energy by the Fermi level given in the header, in order to have the Fermi level at zero.

Best regards
Bernard

Re: DOS with TM and PAW datasets

Posted: Thu Jun 13, 2013 4:41 pm
by antonio
OK, thanks a lot for the answer!

Best

Antonio