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Force maps to test ground states
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1
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6
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March 1, 2025
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How to convert bestsqs.out to cif format?
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2
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21
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March 1, 2025
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Increase number of predicted structures
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3
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4
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March 1, 2025
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How to convert bestsqs.out to cif format?
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0
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4
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March 1, 2025
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Ewald summation vs Wolf summation for thin films using core-shell interatomic potential
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5
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65
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February 28, 2025
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Playing Simulation in Ovito
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2
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52
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February 28, 2025
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High order of the polynomial in the fitsvsl
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2
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7
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February 28, 2025
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Cluster expansion does not finish
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1
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1
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February 28, 2025
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Crange.in misregarded
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1
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2
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February 28, 2025
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mcsqs code
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8
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49
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February 28, 2025
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Mcsqs for ternary alloys
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1
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6
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February 28, 2025
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CVs systematically evaluated to MAXFLOAT
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9
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17
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February 28, 2025
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How to determine whether spin polarization is turned on for dos calculation of a material?
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2
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23
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February 28, 2025
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Suggestions on CE of hcp system
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1
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2
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February 28, 2025
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Discrepancy in ISMEAR between MPRelaxSet and MP public input
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3
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31
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February 28, 2025
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How do I get references from API?
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1
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27
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February 28, 2025
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Lnowing the velocity of molecules using ReaxFF
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1
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25
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February 28, 2025
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Vibrational kinetic energy rescale
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1
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20
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February 28, 2025
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Question About Cluster Expansion and Delithiated Structures
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1
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25
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February 28, 2025
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LAMMPS build with coreshell package using C++17
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1
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47
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February 28, 2025
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Multicomponent cluster function.
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2
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7
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February 28, 2025
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Corrdump and mcsqs
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1
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21
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February 28, 2025
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Csfit
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4
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3
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February 27, 2025
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Finding best cluster expansion
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1
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4
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February 27, 2025
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Orthogonal cell - mcsqs
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5
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18
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February 27, 2025
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Mmaps -2d
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1
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5
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February 27, 2025
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Generating structures with maps of our choice
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1
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3
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February 27, 2025
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Checkrelax in CE
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3
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4
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February 27, 2025
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Resolving discrepancy in stable structures between phase diagram and materials explorer apps
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1
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31
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February 27, 2025
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Question about using quip in lammps
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18
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473
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February 27, 2025
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