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Inquiry about the implementation details of GGA_GGA+U_R2SCAN mixing in Materials Project
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1
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10
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April 16, 2025
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How to add calculated partial atomic charges into a cif file
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0
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14
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March 18, 2025
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Convex Hull and Delithiation Phase Stability
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2
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27
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March 7, 2025
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Nitrogen gas temperature correction for reaction energy calculation
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1
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18
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March 6, 2025
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Inquiry Regarding Discrepancy in Phase Diagram Data from API and Web Interface
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9
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71
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February 26, 2025
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Multi component Pourbaix Diagram with stability heatmap doesn't work
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9
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153
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February 7, 2025
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The theory/calculation behind energy-above-hull: how to calculate for quarternary structures?
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7
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279
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January 23, 2025
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How to get the noncollinear magnetic moment of each atom using the Materials Project API?
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1
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28
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January 14, 2025
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An error occurred using SubstrateAnalyzer Class
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1
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32
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January 11, 2025
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How to transform the disordered structure to ordered structure?
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2
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71
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December 24, 2024
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Question about methodology in Battery Explorer
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0
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17
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December 20, 2024
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About caluculating energy above hull
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4
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69
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December 19, 2024
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Inconsistency between Materials Project Database bandgap and pymatgen calculated bandgap
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6
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60
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December 16, 2024
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How redefine the lattice orientation by pymatgen?
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2
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28
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December 14, 2024
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Handling Fractional Occupancy in CIF to POSCAR Conversion
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3
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566
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December 12, 2024
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About the exact potcar version used by MP
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2
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17
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November 27, 2024
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Amset deform read with pymatgen Symmetry Undetermined Error
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0
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58
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November 20, 2024
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How to high throughput calculate the effective mass from materials project
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1
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269
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November 5, 2024
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Ehull of layered oxides
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1
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13
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November 3, 2024
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Use the atomate2 elastic workflow to reproduce the Elastic Constants given on next-gen.materialsproject.org
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1
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50
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November 3, 2024
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Energy above hull values in materials project
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8
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3723
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October 30, 2024
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'NoneType' object is not callable error when i run test_material = mpr.get_data("mp-149")
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1
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30
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October 30, 2024
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Transform the elastic tensor for the primitive cell of Si to the corresponding elastic tensor in the conventional cell
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1
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25
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October 30, 2024
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How to construct a pourbaix diagram by my own DFT formation energies?
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2
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146
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October 23, 2024
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Inquiry about RedoxDoc - data availability and extraction steps
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3
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41
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October 16, 2024
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Different surface structures from pymatgen and ASE
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0
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88
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October 13, 2024
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Triclinic unit cell to cubic unit cell transformation
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2
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138
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September 19, 2024
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Regarding POSCAR visualization
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1
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24
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September 18, 2024
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Problem with finding band structures of the crystal
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0
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39
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August 28, 2024
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Do I need to divide the numpy array myself in order to obtain the charge density in units 1/Å^3?
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2
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26
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August 20, 2024
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