[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?

--------------------------------------------
       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
-----------------------------------------------

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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