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Chemical potential set and free energy shift in MC
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0
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27
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March 30, 2025
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Problems with B2 and SQS
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4
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96
|
March 30, 2025
|
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Pair correlation functions calculation
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0
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27
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March 30, 2025
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Optimize structure for a specific concentration only?
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7
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91
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March 30, 2025
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Relaxation convergence of the structures
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0
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32
|
March 30, 2025
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Cluster expansion including defect
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0
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33
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March 30, 2025
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How to write lat.in file for metals with different lattices
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0
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47
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March 30, 2025
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SQS generation using mcsqs code
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2
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76
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March 30, 2025
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How do we get a cluster expansion for cubic perovskite
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0
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38
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March 30, 2025
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About the question mark in predstr.out
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1
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28
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March 30, 2025
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Memc2 output so many points with same composition and free e
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0
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30
|
March 30, 2025
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Not acheave convergence for generating phase diagram
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0
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16
|
March 30, 2025
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clusters.out
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0
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30
|
March 30, 2025
|
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gcc install error on RedHat
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0
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24
|
March 30, 2025
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SQS err: how to match point correlation with supercell size
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1
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49
|
March 30, 2025
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Question about writing sqscell.out files
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0
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30
|
March 30, 2025
|
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Install error on CentOS7 system
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0
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14
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March 30, 2025
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No ground state output
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3
|
30
|
March 30, 2025
|
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Install parallel version of atat
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0
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39
|
March 30, 2025
|
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Installation failed in Mac OS Big Sur
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1
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30
|
March 30, 2025
|
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Regarding Li-rich materials
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0
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21
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March 30, 2025
|
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Charge neutrality issue
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2
|
30
|
March 30, 2025
|
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Extracting the DFT energy data from the OSZICAR file
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0
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16
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March 30, 2025
|
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MMAPS stopped without error report
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0
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18
|
March 30, 2025
|
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Is there a script for conversion of CIF to lat.in?
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0
|
28
|
March 30, 2025
|
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Phb MC gets stopped after 2 steps
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1
|
41
|
March 30, 2025
|
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Specify concentration of ternary compounds
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0
|
26
|
March 30, 2025
|
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clusters.out
|
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0
|
25
|
March 30, 2025
|
|
mmaps with more than 7 elements
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0
|
31
|
March 30, 2025
|
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High values in ECI fit and help for emc2 simulations
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6
|
82
|
March 30, 2025
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