[Pw_forum] PP generation and plotting ld1 output

[Paolo Giannozzi]

On Dec 18, 2011, at 23:42 , Пермяков Евгений wrote:

> 1) Tutorials I found give some plotting comands, but do not give any
> advise how to plot density from specific subshell. How should I do  
> this ?

just plot the square of the wave function. Apart from a r^2 factor and
numerical factors, it is the density of that shell

> 2) Can someone tell me, are there any traps with PPs with semicore

"traps" i.e. pitfalls? plenty of them

> and possibly point some specific tutorials ?

there is a short section on the generation of semi-core PPs in
atomic_doc/pseudo_gen.tex

P.
---
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

"Nothing is impossible for the man who doesn't have to do it himself"