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.