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Charge compensation by hole formation modelling
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4
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198
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November 14, 2023
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Visualization in GDis
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1
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130
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November 13, 2023
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Lattice energy optimisation
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3
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163
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November 8, 2023
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Group velocity dependency on unit cell size
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1
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150
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November 6, 2023
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How to install gulp in ubuntu
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3
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173
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October 31, 2023
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GULP - Input scripts - Clarification
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1
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155
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October 26, 2023
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Unit of gtol ftol xtol
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1
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157
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October 16, 2023
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Pair distribution functions
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1
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152
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October 13, 2023
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How to read DYNAMO setfl format file for EAM potential
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1
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199
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October 11, 2023
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Fit potential
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3
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323
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October 8, 2023
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Matrix inversion failed in EEM/QEq
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4
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290
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October 5, 2023
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Phonon dispersion curve of SLG
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1
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176
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October 5, 2023
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Calculating Bond Lengths
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1
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132
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October 3, 2023
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Bulk Modulus of 0
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4
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189
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October 3, 2023
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Visualization software
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1
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141
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October 2, 2023
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How to convert elastic constants calculated from primitive cell to conventional cell?
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2
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160
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September 30, 2023
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Spring constant value
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7
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183
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September 29, 2023
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Reproduction of published interatomic potentials
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1
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140
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September 29, 2023
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Example67 for thermal conductivity
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5
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367
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September 22, 2023
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Keyword confusion: meaning of coulomb_subtract rmax and ewald realradius
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3
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210
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September 21, 2023
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Warning message saying "Warning - number of modes has changed to xxx ***"
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2
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276
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September 18, 2023
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Molecular crystal relaxation
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9
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354
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September 18, 2023
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Problem of gulp parallel in linux
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5
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223
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September 15, 2023
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Phonon calculation with negative frequencies (imaginary models)
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3
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193
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September 11, 2023
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Example 5 of the phonon dispersion
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3
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236
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September 4, 2023
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Tutorial for Beginners
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3
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227
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August 30, 2023
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Precision of phonon eigenvectors
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1
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162
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August 27, 2023
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Specifying vacancies
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1
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146
|
August 22, 2023
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CH_PENALTY = ZERO produced by CGenFF forcefield for GULP, why?
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2
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149
|
August 18, 2023
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Final defect energy value
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1
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150
|
August 18, 2023
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