I accidentally typed 'LPZ' instead of 'PZ' and the code run.


Quoting Paolo Giannozzi <p.gianno...@gmail.com>:

> I don't think there is any such functional (in fact the code is
> interpreting it as "no exchange" and "PZ=Perdew-Zunger correlation"). Where
> did you find the output you report?
>
> Paolo
>
> On Fri, Feb 23, 2018 at 2:16 PM, <elch...@auth.gr> wrote:
>
>>
>> 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
>> elch...@auth.gr - tel:+30 2310 998109
>>
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222



-- 
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elch...@auth.gr - tel:+30 2310 998109

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