[Pw_forum] About pseudopotential conversion

[Paolo Giannozzi]

On Thursday 20 October 2005 11:47, Alberto Milani wrote:

> In the .UPF pseudopotential my "Max angular momentum component"
> in <<PP_HEADER>> is 1 instead of 2.

correct: the UPF file contains PPs in separable (Kleinman-Bylander)
form, so you have l=0 and l=1 projectors, l=2 as the local potential.

P.
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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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