The ABINIT Users Mailing List ( CLOSED )

["Chun Li " <chun.li@mf.mpg.de>]

Dear all,

 

I have one more question about fhi98PP. If I want to add the cutoff radius in the ini file, can I just add the variable in the first line of the ini file? For example:

 

30.00  6  2  1.5  3  0.00 : z  nc  nv rct iexc rnlc

    1  0   2.00      : n  l   f

    2  0   2.00

    2  1   6.00

    3  0   2.00

    3  1   6.00

    3  2  10.00

    4  0   2.00

    4  1   0.00

2  h                 : lmax  s_pp_def

 

But if I want to set different cutoff radius for different orbits, how to set the values then? Could anybody help me? Thank you in advance.

 

Best regards.

 

Chun Li