solver.schi.dat

Introduction

The solver.schi.dat file is used to store the spin-spin correlation function in time space, $\chi_{\text{spin}}(\tau) = \langle S_z(0)S_z(\tau)\rangle$. It will be output by the quantum impurity solvers when they are shut down.

Format

The solver.schi.dat file contains a few (nband + 2) blocks. The first nband blocks are orbital-resolved spin-spin correlation functions. The next block is the total spin-spin correlation function. The final block is the sum of orbital-resolved spin-spin correlation functions. Each block is appended by two blank lines. In each block, the error bar data are always shown in the rightmost column.

Code

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

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

! write it
     do j=1,nband
         write(mytmp,'(a,i6)') '# flvr:', j
         do i=1,ntime
             write(mytmp,'(3f12.6)') tmesh(i), sschi(i,j), sserr(i,j)
         enddo ! over i={1,ntime} loop
         write(mytmp,*) ! write empty lines
         write(mytmp,*)
     enddo ! over j={1,nband} loop

     write(mytmp,'(a,i6)') '# flvr:', 8888
     do i=1,ntime
         write(mytmp,'(3f12.6)') tmesh(i), schi(i), serr(i) 
     enddo ! over i={1,ntime} loop
     write(mytmp,*) ! write empty lines
     write(mytmp,*)

     write(mytmp,'(a,i6)') '# flvr:', 9999
     do i=1,ntime
         write(mytmp,'(3f12.6)') tmesh(i), sum( sschi(i,:) ), sum( sserr(i,:) )
     enddo ! over i={1,ntime} loop
     write(mytmp,*) ! write empty lines
     write(mytmp,*)

! 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.schi.dat file. See script/u_reader.py for more details.