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output structure during MC
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0
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5
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October 11, 2025
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The mcsqs program seems to be stuck in a non-terminating state.
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3
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17
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October 10, 2025
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Monte Carlo simulation problem using Phb and emc2 command
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1
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22
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September 23, 2025
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MCSQS - Segmentation Fault
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3
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48
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September 19, 2025
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Automated SQS search across concentration range with ATAT mcsqs
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2
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41
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September 9, 2025
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Generating SQS for a Ternary HCP Alloy (A-90%, B-6%, C-4%) with Extreme Concentration Skew
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1
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32
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September 8, 2025
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Fitting problems of magnetic atoms using MAPS
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1
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14
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September 8, 2025
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mmaps queries
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1
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31
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September 6, 2025
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Quenstion on the concentration of atoms in rndstr.in
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2
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53
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September 6, 2025
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Unstable modes in fitfc
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5
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53
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September 6, 2025
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Phase Diagram Calculation using Phb command
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1
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34
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September 6, 2025
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Stiffness vs Bond length curve
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2
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36
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September 6, 2025
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How to use ATAT to build an SQoS structure
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1
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70
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September 6, 2025
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Memory corruption error while running fitfc
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8
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71
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September 5, 2025
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Defining new crystal structures and generating SQS for them
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1
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15
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September 5, 2025
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Segmentation fault (core dumped)-mscqs
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1
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27
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September 5, 2025
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Unexpected Error on "Impossible to match point correlations"
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2
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16
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September 5, 2025
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Unknown atom label
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4
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27
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September 5, 2025
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mcsqs finishes immediately and returns only one structure for YSZ fluorite model
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1
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29
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September 5, 2025
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why I can only calculate two 'pure' structures after using the pollmach runstruct_vasp command
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2
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31
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September 5, 2025
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VASP Fails on SQS Generated for High‑Entropy Co₃O₄‑Based Oxide
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1
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38
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September 5, 2025
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Objective function stagnates (mcsqs)
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2
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61
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June 17, 2025
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Interactive online interface for creating input files for generation of SQS in ATAT mcsqs
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1
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82
|
June 16, 2025
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Intallation error
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7
|
91
|
June 10, 2025
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SQS mcsqs 2D monolayer alloy question
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1
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41
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June 9, 2025
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ATAT website now hosted on Github
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0
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64
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June 9, 2025
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Counseling on the output contents of the memc2 command
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3
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32
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May 17, 2025
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Relaxed structures (CONTCAR) to fit to cluster expansion instead of unrelaxed (POSCAR) structure
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1
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47
|
May 16, 2025
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genstr with symm. equivalent structure
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1
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15
|
April 30, 2025
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ATAT mcsqs (Segmentation fault (core dumped))
|
|
1
|
75
|
April 30, 2025
|