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Incorrect symmetry in piezoelectric tensor

Posted: Tue Dec 17, 2013 9:32 pm
by jy346
Hello, I recently ran some computations to determine the piezoelectric coefficients for four compounds. Two of them were rhombohedral (space group R32) and the other two were orthorhombic (sg Imm2). The tensor for a rhombohedral compound should be

d11 -d11 0 d14 0 0
0 0 0 -d14 0 -2*d11
0 0 0 0 0 0

The tensors I computed however, looks like

d11 -d11 0 d14 0 0
0 0 0 -d14 0 -d11
0 0 0 0 0 0

It seems as though there is a factor of 2 missing. Is there a way to correct this? The Imm2 tensors came out correct.

Thank you for any assistance.

Re: Incorrect symmetry in piezoelectric tensor

Posted: Tue Sep 10, 2024 2:36 pm
by support_vasp

Hi,

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