Dear all;
I have a question about C_nk(G) coefficients which are printed in case.output1.
Are these printed coefficients multiplied in (1/radical ? ) or not?
(? is the unit cell volume.)
u_nk(r) is the periodic part of Bloch function : psi_nk(r) = u_nk(r) * exp
(ik.r)
u_nk(r)= (1/radical ? )* sigma_j [ C_nk(Gj) * exp(i Gj.r) ]
Thanks in advance.
With my best regards,
Fatemeh
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|Fatemeh Mirjani | Email: f_mirjani at
ph.iut.ac.ir |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
|ICTP Affiliated Center in Isfahan, | Tel Lab.: +98311-3913731 |
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