REPRODUCING THE NUMERICAL RESULTS. ****************************************************************************************************************** GENERAL: The DMRG++ code can be obtained with: git clone https://github.com/g1257/dmrgpp.git and PsimagLite with: git clone https://github.com/g1257/PsimagLite.git ****************************************************************************************************************** TO COMPILE: cd dmrgpp/src perl configure.pl (all defaults) make make observe ****************************************************************************************************************** RUNNING THE CODE: ./dmrg -f input.inp &> output.txt Input files are given below. ****************************************************************************************************************** FIGURE 4(a) and (c): Run DMRG++ with this input: TotalNumberOfSites=20 NumberOfTerms=1 DegreesOfFreedom=3 GeometryKind=chain GeometryOptions=ConstantValues Connectors 3 3 0.5 0 -0.1 0 0.5 -0.1 -0.1 -0.1 0.15 Model=FeAsBasedSc Orbitals=3 hubbardU 4 2.0 .7500 -1.000 -.500 potentialV 120 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 SolverOptions=CorrectionTargeting CorrectionA=0.0005 Version=Version OutputFile=data340 InfiniteLoopKeptStates=150 FiniteLoops 33 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 0 9 300 0 -9 300 0 -9 300 0 9 300 1 9 300 1 TargetQuantumNumbers 3 2 2 0.0 Threads=16 ****************************************************************************************************************** FIGURE 4(b): Run DMRG++ using this input: TotalNumberOfSites=22 NumberOfTerms=1 DegreesOfFreedom=3 GeometryKind=chain GeometryOptions=ConstantValues Connectors 3 3 0.5 0 -0.1 0 0.5 -0.1 -0.1 -0.1 0.15 Model=FeAsBasedSc Orbitals=3 hubbardU 4 4.0 .7000 -2.640 -1.320 potentialV 132 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 -0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 SolverOptions=CorrectionTargeting CorrectionA=0.0005 Version=Version OutputFile=data340 InfiniteLoopKeptStates=150 FiniteLoops 33 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 0 10 300 0 -10 300 0 -10 300 0 10 300 1 10 300 1 TargetElectronsUp=2 TargetElectronsDown=2 Threads=8 ****************************************************************************************************************** FIGURE 5(c): Run DMRG++ with this input: TotalNumberOfSites=24 NumberOfTerms=1 DegreesOfFreedom=3 GeometryKind=chain GeometryOptions=ConstantValues Connectors 3 3 0.5 0 -0.1 0 0.5 -0.1 -0.1 -0.1 0.25 Model=FeAsBasedSc Orbitals=3 hubbardU 4 5.0 1.8750 -2.500 -1.250 potentialV 144 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 SolverOptions=CorrectionTargeting CorrectionA=0.0005 Version=Version OutputFile=data340 InfiniteLoopKeptStates=150 FiniteLoops 37 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 0 11 300 0 -11 300 0 -11 300 0 11 300 1 11 300 1 TargetElectronsUp=2 TargetElectronsDown=2 Threads=16 ****************************************************************************************************************** OBSERVABLES In order to get physical observables such as orbital occupancy and correlations, a different code must be run. (The program, "observe", is also provided with DMRG++.) To run the observe code just type: ./observe -f input.inp -o onepoint,nn,szsz,s+s- &> observables.dat This code will output the correlation matrices for spin and charge which must be properly handled to get either the structure factors or their spatial dependence. The specifics of the measurements and correlations are explained in the paper and the supplementary material.