[Wien] Projected density of states

[Leonardo Pisani]

Dear Wienusers,

I would like to calculate the DOS on a different basis (e_g/t_2g)
respect to the standard lms basis used in the scf calculation. As I
understood from the 'comment' file in the 'SRC_qtl' subdirectory, the
main steps to follow are 3:

1)create the ' case.inq'  file

2)copy the file  $WIENROOT/SRC_templates/case.cf_d_eg_t2g onto the file
'case.cf-1' , where -1 is the atom index.

2)modify the local rotation matrix in the 'case.struct' file  according
to the new basis (e_g/t_2g)

About the third point: does it mean that I should open the structure
file after the scf calculation and modify by hand the local rotation
matrices written there?



Best Regards,
Leonardo Pisani.