[QE-users] Atomic code: writing the l-dependent pseudopotentials

[Mahmoud Payami Shabestari]

Dear All,

To make more specific my question in my previous post to the list, the 
question is posed in a clearer way:

According to the paper K. Laasonen et al, PRB47 (16), 10142(1993) , the USPP 
is fully determined by the quantities: V_{loc}^{ion}(r), D_{nm}^{(0)}, 
Q_{nm}(r), and beta_n(r).

I would like to study HARDNESS vs SOFTNESS of the generated pseudopots with 
LD1 code. The files potentially accessible are available by specifying 
file_chi, file_beta, file_qvan, file_screen.

Unfortunately, I do not know how to use the written files to extract the 
needed information.

Any comments is highly appreciated.



Best regards,

Mahmoud Payami

AEOI, Tehran, Iran





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