├── Ic-Ih-mW ├── .ipynb_checkpoints │ └── Ic-Ih-checkpoint.ipynb ├── Ic-Ih.ipynb ├── get-mu.ipynb ├── ipi-90K │ ├── lambda-ti │ │ ├── dhdl.ic │ │ ├── dhdl.ih │ │ ├── ic.lmp │ │ ├── ic.xml │ │ ├── ih.lmp │ │ ├── ih.xml │ │ ├── processdhdlambda.sh │ │ ├── ref-mW-Ic.xyz │ │ └── ref-mW-Ih.xyz │ └── phonon-90K │ │ ├── ic-90K.eigval │ │ ├── ic.lmp │ │ ├── ic.xml │ │ ├── ih-90K.eigval │ │ ├── ih.lmp │ │ └── ih.xml ├── lammps-0K │ ├── ic.lmp │ ├── ih.lmp │ └── mW.sw ├── lammps-npt │ ├── PE.list │ ├── ic.lmp │ ├── ih.lmp │ └── mW.sw └── mu-T.dat ├── README.md ├── sf-Co ├── .ipynb_checkpoints │ └── sf-Co-checkpoint.ipynb ├── Co_PurjaPun_2012.eam.alloy ├── ipi-90K │ ├── lambda-ti │ │ ├── Co_PurjaPun_2012.eam.alloy │ │ ├── dhdl.fcc │ │ ├── dhdl.sf │ │ ├── fcc-ref.xyz │ │ ├── fcc.data │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ ├── processdhdlambda.sh │ │ ├── sf-ref.xyz │ │ ├── sf.data │ │ ├── sf.lmp │ │ └── sf.xml │ └── phonon-0K │ │ ├── fcc-0K.eigval │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ ├── sf-0K.eigval │ │ ├── sf.lmp │ │ └── sf.xml ├── lammps-0K │ ├── fcc.data │ ├── fcc.lmp │ ├── fcc.xyz │ ├── sf.data │ ├── sf.lmp │ └── sf.xyz ├── lammps-npt │ ├── PE.list │ ├── fcc.lmp │ └── sf.lmp └── sf-Co.ipynb ├── sf-Fe-fcc ├── .ipynb_checkpoints │ └── sf-Fe-checkpoint.ipynb ├── Fe.eam.fs ├── ipi-90K │ ├── lambda-ti │ │ ├── Fe.eam.fs │ │ ├── cellsize │ │ ├── dhdl.fcc │ │ ├── dhdl.sf │ │ ├── fcc-ref.xyz │ │ ├── fcc.data │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ ├── processdhdlambda.sh │ │ ├── sf-ref.xyz │ │ ├── sf.data │ │ ├── sf.lmp │ │ └── sf.xyz │ └── phonon-0K │ │ ├── fcc-0K.eigval │ │ ├── fcc.data │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ ├── fcc.xyz │ │ ├── sf-0K.eigval │ │ ├── sf.data │ │ ├── sf.lmp │ │ └── sf.xml ├── lammps-0K │ ├── fcc.lmp │ └── sf.lmp ├── lammps-npt │ ├── Fe.eam.fs │ ├── PE.list │ ├── fcc.lmp │ ├── process-pe.sh │ └── sf.lmp └── sf-Fe.ipynb ├── sf-Ni ├── .ipynb_checkpoints │ ├── sf-ni-checkpoint (Bingqing Cheng's conflicted copy 2017-09-25).ipynb │ └── sf-ni-checkpoint.ipynb ├── fcc+sf.png ├── ipi-90K │ ├── fcc-phonon │ │ ├── fcc-90K.eigval │ │ ├── fcc.data │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ └── fcc.xyz │ ├── fcc-ti-lambda │ │ ├── RESULT │ │ ├── fcc-ref.xyz │ │ ├── fcc.data │ │ ├── fcc.dhdl │ │ ├── fcc.lmp │ │ ├── fcc.xml │ │ ├── fcc.xyz │ │ ├── processtilambda.sh │ │ └── processtilambda.sh~ │ ├── sf-phonon │ │ ├── sf-90K.eigval │ │ ├── sf.data │ │ ├── sf.lmp │ │ ├── sf.xml │ │ └── sf.xyz │ └── sf-ti-lambda │ │ ├── RESULT │ │ ├── processtilambda.sh │ │ ├── sf-ref.xyz │ │ ├── sf.data │ │ ├── sf.dhdl │ │ ├── sf.lmp │ │ └── sf.xml ├── lammps-0K │ ├── RESULT │ ├── fcc-0K.lmp │ └── sf-0K.lmp ├── lammps-npt │ ├── PE.list │ ├── PE.list~ │ ├── fcc.lmp │ ├── lattice.constant │ ├── processrhoxyz.sh │ └── sf.lmp ├── sf-ni.html └── sf-ni.ipynb └── vacancy-Fe ├── FeCuNi.eam.alloy ├── README ├── bcc+v.png ├── ipi-100K ├── bcc-har │ ├── .input.xml.swp │ ├── bcc.lmp │ ├── debye.geo │ ├── input.xml │ ├── perfect.out │ └── start.xyz ├── bcc-phonon │ ├── bcc.lmp │ ├── input.xml 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