Dear users,
I ran a simple scf calculation (with pw2casino enabled) on silicon with
only the gamma point. Part of the output is excerpted below:
WAVE FUNCTION
-------------
Number of k-points
1
k-point # ; # of bands (up spin/down spin); k-point coords (au)
1 16 0 0.0000000000000000 0.0000000000000000 0.0000000000000000
Band, spin, eigenvalue (au)
1 1 -0.202820815674463
Eigenvectors coefficients
(-0.951686890133184,0.000000000000000E+000)
(-7.038456949644435E-002,-7.038508714927033E-002)
(-7.038547497691390E-002,7.038479032781474E-002)
(-7.038522487192389E-002,-7.038563805713480E-002)
(-7.038432191984847E-002,-7.038395369637993E-002)
In the eigenvectors coefficients, I'd like to clarify what each ordered
pair represents. Is each ordered pair one complex number with the real part
in the first index, and imaginary part the second index? Or is it something
to do with the fact that for gamma point calculations, you can store half
the Fourier coefficients?
Best regards,
Andy
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