Hi all,
according to the manual prtdos is used to calculate DOS with the tetrahedron method. Is there a way to see the tetrahedron table used in the aforementioned calculation? In other words, does ABINIT output this table in some output file?
Thanks!
tetrahedron table [SOLVED]
Moderator: bguster
Re: tetrahedron table [SOLVED]
Hello,
short answer, no, this is not output. If you are feeling courageous, you can check the routines called *tetra* and hack them to print out the tables you want.
prtdos gives you the choice of gaussian or tetrahedron, btw
short answer, no, this is not output. If you are feeling courageous, you can check the routines called *tetra* and hack them to print out the tables you want.
prtdos gives you the choice of gaussian or tetrahedron, btw
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium
Re: tetrahedron table
Hi Matthieu,
thanks for the answer!
Yeah, I know that prtdos has the gaussian option too, but I need the tetrahedron table for post-processing calculations.
If I may give a feedback for a future version of ABINIT; Could the table be output too in some file (by some variable or by default)? Thanks!
thanks for the answer!
Yeah, I know that prtdos has the gaussian option too, but I need the tetrahedron table for post-processing calculations.
If I may give a feedback for a future version of ABINIT; Could the table be output too in some file (by some variable or by default)? Thanks!