[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

Yue-Wen Fang yuewen.fang at gmail.com
Mon Aug 6 04:43:24 CEST 2012


Dear all,

    I generated a new pp of Ti according to the official instruction named
"Notes on pseudopotential generation ~Paolo Giannozzi" with *ld1.x*, but
when I wanted to generate a virtual pp of Ti and O with *virual.x*, an
error happened, it prompted that the parameters named *"nqf"* and
*"nqlc" *couldn't
be found in the UPF of Ti, then I checked the UPF and tried to searched the
*"nqf"*, but failed.
   I am confirmed that I strictly followed the official instruction when I
was creating the pp of Ti, but why the generated UPF doesn't contain the
parameter of nqf and nqlc? I have known the nqf is number of Q-function,
but haven't known the meaning of nqlc.
  Dear friends, have you ever met the similar problem?

Regards!
Yuewen
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