partial dos

[rezuzu]

Dear all,

Is there a way to calculate the partial electronic density of states from an interpolated band structure obtained using ypp -s b -V qp ?


Thanks a lot before,


Dr. Karim Rezouali,
Laboratoire de Physique théorique
Département de Physique,
Université de Béjaia, 06000, Béjaia

[claudio]

Dear Karim

in the present version there is not this possibility, but in the new version that will be online in few weeks there is.

otherwise try to modify the subroutine

ypp/electrons_bands.F

with best regards
Claudio Attaccalite

[rezuzu]

Dear Claudio,

Thank you !

I'll see if i can do something useful in the subroutine '' ypp/electrons_bands.F'.

Karim

[claudio]

Dear Karim

please dowload the last version of yambo from SVN, I added the option to interpolate the quasi-particle band structure on a regular grid,
see documentation here

http://www.yambo-code.org/input_file/ya ... _bands.php

and then you can use a simple python script to generate the DOS

http://www.yambo-code.org/doc/scripts.php

regards
Claudio