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 F?sica dos Materiais e Mec?nica Instituto de F?sica, Universidade de S?o Paulo Cidade Universit?ria CEP 05508-090 Caixa Postal 66318 S?o Paulo, SP, Brasil e-mail: rlarico at if.usp.br ---------------------------------------------------------------- This message was sent using IFUSP Webmail - USP/Sao Paulo/Brazil.
