[Wien] A question about unit of electric field in in0

You must multiply by 4 ! (because field varies from +100 to -100 and since it is a zig-zag, it varies in half the period) zhao schrieb: Dear Prof. P. Blaha, In your paper, PRB-63-165205(2001), you say that external potential 100mRy corresponds to 700 kV/mm. When I tried to get this unit

[Wien] electron density plot

You might also try Xcrysden to run the density calculations (File- Open WIEN2K- Calculate and Render Density). This is also the way to go if you want to calculate 3D grids of the electron density. regards, Georg muniroh schrieb: Dear wien users, Although sound quite silly, but can any

[Wien] Segmentation fault in LAPW1

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[Wien] calculating integration of the 3 spherical harmonics for calculating the charge density (Gaunt coefficients).

Dear all; I have a question about calculating integration of the 3 spherical harmonics for calculating the charge density (Gaunt coefficients). Which method did you use for this calcultion? and where do I see the subroutine of this calculation in the source of code? I need to calculate this