[Pw_forum] LPZ functional in ld1.x
elchatz at auth.gr
elchatz at auth.gr
Fri Feb 23 14:16:23 CET 2018
Hello all,
Does anyone know what the LPZ XC functional is?
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scalar relativistic calculation
atomic number is 42.00
dft =LPZ lsd =0 sic =0 latt =0 beta=0.20 tr2=1.0E-14
Exchange-correlation = LPZ ( 0 1 0 0 0 0)
mesh =1229 r(mesh) = 100.71859 a.u. xmin = -7.00 dx = 0.01250
1 Ry = 13.60569193 eV, c = 137.03599966
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I can't find it in the functionals.f90 file or in libXC.
Regards,
--
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elchatz at auth.gr - tel:+30 2310 998109
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