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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