[Pw_forum] Geneartion of US PP and l channel

[Aldo Ugolotti]

Dear QE users,

I am trying to generate an ultrasoft pseudopotential for Pt, I was 
trying to start using one of the pseudowavefunctions (the 5d one) as a 
local angular momentum component, but in the output I found the message 
that I need to specify two channel per l number. So I tried to add 3 
more pseudostates, getting an input like the one shown below, but I get 
a null 6s orbital (I can see in the ld1.wfc plot) and, of course, a 
buggy output.
What I am doing wrong? How can in define the right l channels?
Thanks for your help.

Aldo

   &input
      title='Pt_optb88'
      atom='Pt',
      dft='sla+pw+obk88',
      config='[Xe] 4f14 5d9 6s1 6p0 6d0 7s0 7p0',
      nld=3,
      rlderiv=2.0,
      eminld=-10,
      emaxld=5,
      deld=0.01,
      verbosity='high',
      iswitch=3,
/
&inputp
pseudotype=3,
file_pseudopw='Pt.optb88-n-rrkjus.UPF',
lloc=-1,
rcloc=1.0,
nlcc=.true.,
new_core_ps=.true.,
rcore=1.0,
rho0=0.01,
tm=.false.,
file_chi='pp_gen_chi_funct.out',
file_screen='pp_gen_screening_pot.out',
file_core='pp_gen_core_charge.out',
file_wfcaegen='pp_gen_wfc_ae.out',
file_wfcusgen='pp_gen_wfc_us.out',
/
6
5D 3 2 9.0 0.00 2.0 2.7
6D 3 2 0.0 0.008 2.0 2.7
6S 1 0 1.0 0.00 1.4 1.6
7S 1 0 0.0 -0.088 1.4 1.6
6P 2 1 0.0 0.00 1.6 2.0
7P 2 1 0.0 0.0001 1.6 2.0

-- 
Aldo Ugolotti

Department of Materials Science,
University of Milano-Bicocca,
U5, Via R. Cozzi 55,
20125 Milano, Italy.