[Pw_forum] atomic energy levels in pseudopotential generation

[Paolo Giannozzi]

Maosheng Miao wrote:

> your number is different to mine. Could you post the input file for Rh and Ir?

&input
   atom='Rh',
   config='[Kr] 4d7.0 5s2.0 5p0.0',
   dft='PBE'
/

&input
   atom='Ir',
   config='[Xe] 4f14.0 5d7.0 6s2.0 6p0.0',
   dft='PBE'
/

-- 
Paolo Giannozzi, Democritos and University of Udine, Italy