[Pw_forum] How to modify the input file when testing virtual crystal pseudopotential?

[Yue-Wen Fang]

Dear all,

    i generate a virtual crystal pseudopotential of N and O (named
virtual-NO.UPF) and I want do dope the SrRuO3 system by using this mixing
pseudopotential, but how to modify the input file especially the
ATOMIC_SPECIES and ATOMIC_POSITIONS?

   the primitive input file of  ATOMIC_SPECIES and ATOMIC_POSITIONS of
SrRuO3

 Sr  87.62 Sr.pbe-sp-van.UPF
 Ru  101.07 Ru.pbe-n-van.UPF
 O  15.9994  O.pbe-van_ak.UPF          how to modify this line?

ATOMIC_POSITIONS {crystal}
Sr       0.000000000   0.000000000   0.0
Ru       0.500000000   0.500000000   0.5
O        0.500000000   0.000000000   0.5      should i modify these
positions or replace the O positions in some way?
O        0.000000000   0.500000000   0.5
O        0.500000000   0.500000000   0.0

-- 
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Yue-Wen Fang
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