[Pw_forum] BEC from DFPT

[Сергей Николаев]

Dear all,
I am trying to calculate Born effective charges from DFTP for the spin-polarized system. However, these systems must be treated as metallic (scf-calculation with occupations='smearing').
The problem is that ph.x complains about my calculation, but the system has an insulator behavior.
Are there any methods to solve this problem?
 
Sincerely,
Sergey Nikolaev
Department of theoretical physics and applied mathematics
Ural Federal University
Yekaterinburg, Russia

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