[Wien] BerryPi

[lokanath patra]

Dear Users,

I am trying to calculate born effective charge for Bi atom in BiFeO3. I
followed the tutorial for GaAs as BiFeO3 is having non orthogonal lattice
vectors. I used berrypi with -s option as it consists of magnetic ion. But
after changing the position of Bi atom by 0.001, when I put the command ''x
dstart'' to initialize the electron density, it is showing 'rot-def' error.
Please help.

Thanks in advance.

-- 
Lokanath Patra
Ph.D Scholar
Dept. of Physics
School of Applied and Basic Sciences
Central University of Tamil Nadu
Thiruvarur
Tamil Nadu - 610101
Ph no - +91-8675834507
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