[Wien] C_nk(G) coefficients and the unit cell volume

[fatemeh.mirjani]

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 Ω ) or not?
(Ω 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 Ω )* 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  |
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