lecture10 - HW 6, Bloch states in one-dimension • When...

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Unformatted text preview: HW 6, Bloch states in one-dimension • When V(x) is periodic with periodicity L, we get Bloch states • The summation is over the (one-dimensional) vectors • Then we have to solve the linear equations Elements of H-matrix in the plane-wave basis • Diagonal elements given by kinetic-energy term • Off-diagonal elements require Fourier transform of V(x) • Use subroutine four1.f to perform Fourier transform • Matrix elements directly come from the FFT of V(x) Elements of H-matrix in the plane-wave basis • Diagonal elements given by kinetic-energy term • Off-diagonal elements require Fourier transform of V(x) • Use subroutine four1.f to perform Fourier transform • Matrix elements directly come from the FFT of V(x) • Diagonalization for eigenvalues/eigenvectors from ch.f Declaration statements… Complex numbers again! IMPLICIT NONE INTEGER, PARAMETER :: Prec14=SELECTED_REAL_KIND(14) INTEGER :: i,j,n,isign,ik,jmi,ierr,matz INTEGER, PARAMETER :: jmax=64,ikmax=20 COMPLEX(KIND=Prec14), DIMENSION(0:jmax-1) :: v ! potential and FourieCOMPLEX(KIND=Prec14), DIMENSION(0:jmax-1) :: v !...
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This note was uploaded on 08/08/2011 for the course PHZ 5156 taught by Professor Johnson,m during the Fall '08 term at University of Central Florida.

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lecture10 - HW 6, Bloch states in one-dimension • When...

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