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Problem about the phonon dispersion and PDOS calculation of defective materials
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1
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32
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November 26, 2021
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Meaning of eigenvector
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6
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59
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November 24, 2021
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Graphical interfaces to GULP
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3
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58
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November 20, 2021
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Fitting a Coulomb-Buckingham force field for solid electrolytes
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2
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50
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November 16, 2021
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Create dumpfile and open it
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1
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31
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November 15, 2021
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For find groupvelocity
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4
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49
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November 10, 2021
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Probable using of tabulated force fields in Gulp
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4
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47
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November 9, 2021
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Thermal conductivity by BTE
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2
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45
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November 9, 2021
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Grand canonical Monte Carlo for an ising model
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8
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94
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November 5, 2021
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Numerical 3rd-order Force Constants
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7
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87
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November 4, 2021
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Calculation of phonon eigenvector
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4
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78
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October 30, 2021
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LJ parameter optimization
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1
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58
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October 28, 2021
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Error when installing GULP-5.2 in parallel
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5
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114
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October 21, 2021
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Li-Al-O potential
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5
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82
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October 13, 2021
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Is Structural Optimisation/ Energy Minimisation a Lattice Statics process?
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1
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81
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October 12, 2021
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What is the meaning of Coulomb Subtraction?
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3
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58
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October 12, 2021
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Best Books/ Papers/ Videos to Read/ Watch to Understand GULP
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3
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90
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October 11, 2021
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Calculation of Allen-Feldman thermal conductivity
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7
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120
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October 11, 2021
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How to get position vector of atoms in each modes
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3
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66
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October 11, 2021
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Convert GULP potential to lammps useable potential
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1
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58
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October 6, 2021
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How to take care of charge neutrality
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4
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86
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October 5, 2021
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Vashista potential parameter info
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5
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114
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September 10, 2021
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How to create the random defects
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4
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122
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September 8, 2021
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Input of potentials for two body interactions
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5
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91
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September 5, 2021
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TERSOFF potential parameters
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1
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86
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September 4, 2021
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PtSb2 potentials
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1
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49
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September 3, 2021
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GULP use machine learning interatomic potential
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2
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82
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September 3, 2021
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Potential Derivation
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1
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64
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September 3, 2021
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Acoustic phonons have zero frequency at X point in zincblende lattice
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4
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72
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August 19, 2021
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Editing ReaxFF library file
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1
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61
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August 17, 2021
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