solver.lmat.dat

Introduction

The solver.lmat.dat file is used to store the necessary data used to build the generalized fidelity susceptibility $\chi_{\text{FS}}$, which can be calculated via $\chi_{\text{FS}} = \langle k_L k_R \rangle - \langle k_L \rangle \langle k_R \rangle$. It will be output by the quantum impurity solvers when they are shut down.

NOTE:

Only the GARDENIA, NARCISSUS, CAMELLIA, LAVENDER, and MANJUSHAKA components can generate the solver.lmat.dat file.

Format

The solver.lmat.dat file contains two blocks. One is for the $\langle k_L \rangle$ and $\langle k_R \rangle$ data, and another one is for the $\langle k_L k_R \rangle$. In each block, the error bar data are always shown in the rightmost column.

NOTE:

In the solver.lmat.dat file, we adopt the following orbital sequence:

$1\uparrow$, $2\uparrow$, $3\uparrow$, $\cdots$, $1\downarrow$, $2\downarrow$, $3\downarrow$, $\cdots$

In other words, the spin up part is always before the spin down part.

Code

The corresponding Fortran code block for the writing of solver.lmat.dat file is as follows:

! open data file: solver.lmat.dat
     open(mytmp, file='solver.lmat.dat', form='formatted', status='unknown')

! write it
     write(mytmp,'(a)') '# < k_l > < k_r > data:'
     do i=1,norbs
         write(mytmp,'(i6,4f12.6)') i, lmat(i), rmat(i), lerr(i), rerr(i)
     enddo ! over i={1,norbs} loop
     write(mytmp,'(a6,2f12.6)') 'l_sum', sum( lmat ), sum( lerr )
     write(mytmp,'(a6,2f12.6)') 'r_sum', sum( rmat ), sum( rerr )

     write(mytmp,'(a)') '# < k_l k_r > data:'
     do i=1,norbs
         do j=1,norbs
             write(mytmp,'(2i6,2f12.6)') i, j, lrmat(i,j), lrerr(i,j)
         enddo ! over j={1,norbs} loop
     enddo ! over i={1,norbs} loop
     write(mytmp,'(a6,2f12.6)') 'lrsum', sum( lrmat ), sum( lrerr )
     write(mytmp,'(a6,2f12.6)') 'fidel', f_val, f_err

! close data file
     close(mytmp)

In the HIBISCUS component, we provide a Python module to read the output files of quantum impurity solvers. You can use it to read the solver.lmat.dat file. See script/u_reader.py for more details.