[Pw_forum] Polarization along face or body diagonal

[Deepashri Saraf]

Dear Users,

I have done the polarization calculations in case of tetragonal BaTiO3,
where the polarization comes along z-direction. The direction is specified
with the help of "gdir" tag in the input file. But the only allowed
directions are x,y and z.

Is there any way to calculate the polarization along body or face diagonal
with the help of berry phase calculations?

Thanks in advance.

Best,
DS.

-- 
Deepashri Saraf
PhD Student
Department of Physics, SPPU
Pune (India)
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