Dear Users of Wien2k
I want to continue to ask about the calculation of electron ion scattering
matrix element < I^2 >. As I can find some details in the
https://wien.zeus.theochem.tuwien.ac.narkive.com/ffod74Mc/calculation-of-electron-phonon-coupling-constant.
But I still have some problem.
1.What is the atpar.f? Need to recompile lapw1, or is it just an input file??
2.As can be described by RMTA, the WIEN2K OUTPUT can get what quantities?? What
are the quantities that still need to be calculated??The quantity required
is:??l,Nl,Nl(1),EF,N(EF). The EF,N(EF) and Nl may easily get from DOS
calculation. But how to get Nl(1) and ??l.
As the fomula can be described
in https://doi.org/10.1016/j.jallcom.2017.09.299.
Zhou Chao
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