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README.md
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README.md
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# DEHam
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# DEHam
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Double Exchange Hamiltonian Complete Version
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Double Exchange Hamiltonian: Complete Version
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=============================================
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I. Compiling
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------------
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1. Export environment variables for PETSc and SLEPc
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```shell
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export PETSC_DIR=/usr/local/Cellar/petsc/3.6.3_4/real
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export SLEPC_DIR=/usr/local/Cellar/slepc/3.6.2_1/real/
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```
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2. Make the executable
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```shell
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make ex1
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```
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II. Using DEHam
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---------------
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1. The DEHam program requires an input file which
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has the topology of the Hamiltonian and the various parameters
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as explained below in a sample inputfile:
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```python
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140 # The total number of determinants
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7 # The largest number of non-zero elements per row
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2 # The number of processors used in parallel
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1 # The number of holes
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0 # The isz (ms-1/2) value
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1,2,3,1,2,3,4,5,6,7 # The topology of the system is specified here
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2,3,4,8,7,6,5,6,7,8 # first and second line contain the two sites linked
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1,1,1,2,2,2,2,3,3,3 # third line contains the type of link (1 for t, J 2 for K and 3 for none)
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.1430,-0.20,0.0000 # The three types of links this line gives J, K
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.1430,-0.20,0.0000 #
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-1.00,0.0,0.00 # This line gives t
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```
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