Documentation for module qs_condnum

Calculation of overlap matrix condition numbers

source: qs_condnum.F
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public Subroutines/Functions:

Calculation of the overlap matrix Condition Number

SUBROUTINEoverlap_condnum(matrixkp_s, iunit, norml1, norml2, use_arnoldi, blacs_env)

Calculation of the overlap matrix Condition Number

Arguments:
OPTIONAL, POINTER
:: matrixkp_s(:,:) The overlap matrices to be calculated (kpoints, optional)
INTEGER,
INTENT(in)
:: iunit output unit
LOGICAL,
INTENT(in)
:: norml1 logical: calculate estimate to 1-norm
LOGICAL,
INTENT(in)
:: norml2 logical: calculate estimate to 1-norm and 2-norm condition number
LOGICAL,
INTENT(in)
:: use_arnoldi logical: use Arnoldi iteration to estimate 2-norm condition number
POINTER
:: blacs_env ...