[Wien] LDA+U and Supercell: TETRA or ROOT in case.in2c?

[Rolando Larico Mamani]

Dear Prof. Blaha and Wien-users,

I use a supercell of 72 atoms to my calculations of semiconductors (GaN), in
this case I use a few k's points (1 and 2) and in my case.in2c I use ROOT.

So, to an LDA+U calculation (U in Ga) is necessary to change for TETRA in
case.in2c?

Best regards,

-- 
Rolando Larico Mamani
Departamento de Física dos Materiais e Mecânica
Instituto de Física, Universidade de São Paulo
Cidade Universitária CEP 05508-090
Caixa Postal 66318
São Paulo, SP, Brasil
e-mail: rlarico at if.usp.br





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