Orthonorm_mod Module



Contents


Subroutines

public subroutine LOWDIN_ORTH(MAT, N, R1, R2, WORK)

Lowdin Orthoganalize for any non-singular R, let S=R RT P = S^(-1/2) R is orthogonal. MAT is NxN and is returned as an orthogal matrix R1 and R2 are NxN workspaces

Arguments

Type IntentOptional Attributes Name
real(kind=dp) :: MAT(N,N)
integer :: N
real(kind=dp) :: R1(N,N)
real(kind=dp) :: R2(N,N)
real(kind=dp) :: WORK(3*N)

public subroutine GRAMSCHMIDT_NECI(MAT, LEN)

Arguments

Type IntentOptional Attributes Name
real(kind=dp) :: MAT(LEN,LEN)
integer :: LEN