[Wien] What is the meaning of GMAX and GMIN

[Yu Xie]

Deer wiener,

In the manual,it say that GMAX is the max. G(magnitude of largest vector)in charge density Fourier expansion.Is G equal to K?And in the file case.outputd I noticed that GMIN was always as much as RKMAX.Is there any contact between GMIN and RKMAX?
Thanks.
Yours sincerely
Yu Xie

[Torsten Andersen]

Dear Xie,

GMAX is the plane-wave cutoff. It is related to the Bloch functions, and
need to have a certain minimum value that depends on rmt*kmax. This
value is calculated during initialization.

Read a book on solid state physics along with the Wien2k users guide -
that should make it clear.

Best regards,
Torsten Andersen.

Post by Yu Xie
Deer wiener,
In the manual,it say that GMAX is the max. G(magnitude of largest vector)in charge density Fourier expansion.Is G equal to K?And in the file case.outputd I noticed that GMIN was always as much as RKMAX.Is there any contact between GMIN and RKMAX?
Thanks.
Yours sincerely
Yu Xie
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