[Wien] Spontaneous polarization with Berry phase method

Dear Oleg Rubel, I have calculated the spontaneous polarization for BiCoO3 in tetragonal structure, and then, I have got different results between [0 - 2] range and [-1 - +1] range. Please I have some questions: - What is the significance of negative values of total polarization ? - Why the

Re: [Wien] Spontaneous polarization with Berry phase method

Dear Mostefa, I run your structure file under LSDA and it turned out to be metallic (please see below). Is this what you have too? Oleg + last iteration form BiCoO3.scf + :KPT : NUMBER OF K-POINTS:40 :GAP : -9. Ry = -.eV ( metallic )