Dear QE users,
I used QE to calculate the one electron wave functions. In my calculation I
found out that the one electron wave function are not normalized to unity. I
searched through the forum and made some checks and I found out that these is
due to the fact that I used Ultrasoft PseudoPotentials. Unfortunately what I
have to do with the wave functions is memory and time consuming and is very
sensitive to the number of plane waves of the basis set, so I can't use Norm
Conserving PseudoPotential. However I need to enter?the one electron wave
functions?in some matrix element calculations?and I don't know if I have to
normalize them or I have to use them as they are given by the software.
?
I take this opportunity to wish everyone a Merry Christmas.
?
Thank you.Michele Pisarra, PhD Student,
Dipartimento di Fisica, Universit? della Calabria
Via P. Bucci, Cubo 31 C VI piano, 87036, Rende (CS), Italy
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