[Pw_forum] A Cutting-edge Question !!!

[ashkan shekaari]

Dear experts,

How, could one derive the Hamiltonian of a given system resulting in energy
eigenvalues (band structure) *through the modules or subroutines* included
in Q. E. integrated suite?

Is there anyway for this end?

For example, if I provide an input scf file, how could I figure out what
Hamiltonian will be used in my calculations?

How could I make a change in the Hamiltonian of a system by manipulating
subroutines (not the input file)?


*--*
*Regards,*
*Ashkan Shekaari*
*Plasma Physics Research Center*
*Science and Research Branch*
*I A U, 14778-93855 Tehran, Iran.*
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