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How to increase fitting accuracy of cluster expansion
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1
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4
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March 4, 2025
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Random number changes during simulation
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6
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49
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March 3, 2025
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Fix reaxff/species : save molecules layer by layer
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9
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70
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March 3, 2025
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Unreasonable elastic moduli
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1
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49
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March 3, 2025
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Custom schema that change over time
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0
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9
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March 3, 2025
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NOMAD custom schema
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0
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15
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March 3, 2025
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Issue with multiple force computations per step
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12
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73
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March 3, 2025
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NOMAD IP blocks
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1
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15
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March 3, 2025
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How could I generate the predstr.out and clusters.out files
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9
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15
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March 3, 2025
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NEMD Example script for determining lattice thermal conductivity of Bi2Te3 bulk
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1
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20
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March 2, 2025
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Desigining structure from research articles
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2
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42
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March 2, 2025
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Accuracy of electronic contribution
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3
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13
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March 2, 2025
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Mechanisms of entropy contributions
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5
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4
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March 2, 2025
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Vibrational contributions to cluster expansion
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1
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3
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March 2, 2025
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mcsqs for random structure with SRO
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1
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3
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March 2, 2025
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Using csfit
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5
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8
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March 2, 2025
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Sqs
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11
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54
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March 2, 2025
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gensqs missing structures?
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1
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3
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March 2, 2025
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CE with CS for a tetragonal alloy
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7
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8
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March 2, 2025
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No variations in mobility - AMSET 2D materials
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7
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122
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March 1, 2025
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Issue with db_version Parsing in Materials Project API
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2
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164
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March 1, 2025
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To interprete runstruct_vasp command
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5
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9
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March 1, 2025
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Application aborted error
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3
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28
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March 1, 2025
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No basis atoms in lattice
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2
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20
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March 1, 2025
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SHAKE clusters - one central atom with four bonds
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3
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25
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March 1, 2025
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OVITO Wigner–Seitz defect analysis not working with LAMMPS xyz dump (it works with custom dumps)
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5
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52
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March 1, 2025
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Atat
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1
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7
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March 1, 2025
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Cubic or tetragonal/orthorhombic supercell
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4
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13
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March 1, 2025
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About useing pair_style dispersion/d3 command
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3
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64
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March 1, 2025
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runstruct_vasp errors
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5
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6
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March 1, 2025
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