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Example 5 of the phonon dispersion
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3
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109
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September 4, 2023
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Tutorial for Beginners
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3
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125
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August 30, 2023
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Precision of phonon eigenvectors
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1
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94
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August 27, 2023
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Specifying vacancies
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1
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75
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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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79
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August 18, 2023
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Final defect energy value
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1
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77
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August 18, 2023
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Error when running two instances of gulp simultaneously
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3
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202
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August 18, 2023
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Question about the NEB calculation
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1
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132
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August 16, 2023
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An empty output file when running Examples
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1
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108
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August 16, 2023
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2D and 1D lattice optimization
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1
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101
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August 5, 2023
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Interface calculations
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1
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110
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July 14, 2023
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Fractional coordinates in output of MD run
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2
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108
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July 13, 2023
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Parallel and serial
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2
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108
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July 8, 2023
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Nitrogen vacancies
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1
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85
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July 6, 2023
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Lattice Energy Optimization with pGFN-FF
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7
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196
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June 28, 2023
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Gamma point analysis
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3
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128
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June 23, 2023
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Convergence in energies
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1
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101
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June 21, 2023
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Specifying positions
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1
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94
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June 21, 2023
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I get an error largest core shell distance exceeds cut offs. Kindly let me know the issue
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1
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139
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June 5, 2023
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Installing GULP on google colab
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1
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120
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May 31, 2023
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Fitting potential parameters to phonon frequencies
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13
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254
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May 30, 2023
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Interpretation of phonon eigenvectors
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4
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179
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May 29, 2023
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Making pGFN-FF library
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5
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175
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May 29, 2023
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ReaxFF-lg input
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2
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161
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May 29, 2023
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Single point energy of 2d slab
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1
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110
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May 17, 2023
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Cutoffs in pGFN-FF molecular dynamics
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1
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161
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May 14, 2023
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GULP for GPUs
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1
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145
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May 11, 2023
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Dynamical matrix boundary conditions
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1
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160
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May 11, 2023
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Rigid molecules with GULP 6.0
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2
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138
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May 2, 2023
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Dynamical matrices decimal point digits
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3
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159
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April 26, 2023
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