[Pw_forum] question about pseudopotential generation by ld1.x

[jia chen]

Dear All,

I am trying to generate a pseudopotential by ld1.x code in espresso. I
have two questions about this process.
First, in a example to generate Pt pseudopotential in atomic_doc, the
configuration of pseudo is specified as following
7
5D  3  2  4.00  0.00  2.10  2.40  1.50
5D  3  2  0.00 -0.20  2.10  2.40  1.50
5D  3  2  4.00  0.00  2.10  2.40  2.50
5D  3  2  0.00 -0.20  2.10  2.40  2.50
6P  2  1  0.00 -0.00  3.30  3.30  0.50
6P  2  1  0.00 -0.00  3.40  3.40  1.50
6S  1  0  2.00  0.00  2.60  2.60  0.50

I don't know why, for example, 5D orbitals need four lines? I am
confused because I think I can put quantum numbers, occupation and
match radius in one line.... Moreover, what does the last number
(1.50, 2.50...) represent?

Secondly, after plotting logarithmic derivatives, I found some
'sparks', both in atomic and pseudo wave functions. I would like to
know if this is a sign of trouble?  For atomic wave functions, I have
a 'spark' in deep place (negative energy), and for pseudo wave
function, I have a 'spark' at energy 0.

I appreciate any help and thank you in advance.

Best Wishes
jia

-- 
Jia Chen

Dept of Chemistry
Princeton University
Princeton, NJ 08544