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Measuring distance with ASE
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1
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36
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December 4, 2022
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Generating an image of atoms with charges from ase gui?
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0
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23
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November 19, 2022
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Creating Atoms object from the formula
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2
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36
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November 17, 2022
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Plotting phonon band structure of orthorhombic crystal
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2
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49
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November 11, 2022
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Lost atom with LAMMPS calculator
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0
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45
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November 4, 2022
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Compute transport coefficients
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0
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42
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November 3, 2022
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ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
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2
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224
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October 17, 2022
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Ase.optimize with BFGS for a collection of molecules
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2
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109
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September 16, 2022
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Run DFT+U calculations in CP2K with ASE
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1
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134
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September 15, 2022
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ASE test fail after installation
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0
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45
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September 12, 2022
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Failed test report
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1
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92
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August 13, 2022
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Transform unit cell to orthogonal cell
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1
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140
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July 28, 2022
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How to to dope in a structure?
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1
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107
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July 1, 2022
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LAMMPS calculator failed to perform structual optimization in ASE
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0
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108
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June 27, 2022
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Lattice constant of Ag using GPAW
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2
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143
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June 24, 2022
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Why VASP calculation on ASE created slab cannot start?
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0
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123
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May 31, 2022
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Visualizing Phonon modes
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0
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104
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May 18, 2022
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Unable to read OUTCAR from vasp calculation using ase.io.read?
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0
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298
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May 8, 2022
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Errors in ASE
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0
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165
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April 27, 2022
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How to load structures including Deuterium with ASE
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1
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135
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April 27, 2022
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How to address the output of QE+ASE run as a database?
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0
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118
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April 13, 2022
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How to convert primitive cell to conventional cell?
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3
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817
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April 12, 2022
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Cube file save problem
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3
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128
|
April 11, 2022
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How to pass QE amorphous structure to ASE
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1
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123
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April 11, 2022
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Ase installation test error
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1
|
307
|
April 11, 2022
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Width in DOS
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1
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182
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April 11, 2022
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Errors in ase test
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1
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163
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April 11, 2022
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Can ASE write png images with cross mark on the fixed atoms just as shown in the ase gui?
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1
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151
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March 8, 2022
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GPAW atoms limit
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1
|
139
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February 21, 2022
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ASE Calculators for DFT Codes with spin constraints (e.g. SPHInX)
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0
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146
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February 9, 2022
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