Dear transiesta users,

When I do the relaxation calculations of the electrode for a spin-polarized
system by setting the following k-point sampling,

1  0   0

0  3   0

0  0  4

I have obtained the correct Fermi energy. But when I do the electrode
calculation  by setting the following k-point sampling to obtain elec.TSHS
file,

1  0   0

0  3   0

0  0  50

 I have obtained incorrect value for the Fermi energy.

I don't know how to solve this problem. Your guidance and suggestion will
be highly appreciated.

Thanks in advance,

Best regards.

Nadia Salami

Responder a