[Pw_forum] further: born charges in rhombohedral unit cell.

sonu kumar 1009ukumar at gmail.com
Fri Apr 8 10:11:05 CEST 2011

Dear Prof. Stefano de Gironcoli  and QE users,

So one would expect to have anisotropic born charges with off-diagonal
elements for unit cell with R-3m space group.
However, in PHYSICAL REVIEW B 73, 155114 ͑2006͒ , NaHF2   have zero values
for off-diagonal
elements of born-charges.

 and similary in CuAlO2 with same space group, i have found zero values of
off-diagonal elements of born tensor.

Sonu Kumar

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