[Pw_forum] Convert FHI Pseudopotential to UPF

[Shihn Lun]

Hi everybody,
I try to convert FHI pseudopotential to UPF by
fhi2upf.f90, when I perform this converting program,
this program tell me enter "Wavefunction # 1: label,
occupancy >",
but I dont konw how to enter suitable 'Wavefunction',
it
seems very important. And I read a file 'upftool/UPF',
I still not understand what 'Wavefunction' means.

could anybody give me some hints or suggestions ?

Thanks in advance,

Shinn-Lun.


-----Here is FHI input--------
40.00 8 2 8 0.00 : z nc nv
    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   6.00
    4  2   2.00
    5  0   2.00
3 "t"                  : lmax  s_pp_def
1 0.0 15.00 "t"
0 0.0 0 "t"
2 0.0 0 "t"
3 0.0 0.01 "t"
--

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com