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Objective function stagnates (mcsqs)
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0
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12
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May 29, 2025
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SQS mcsqs 2D monolayer alloy question
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0
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14
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May 28, 2025
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Counseling on the output contents of the memc2 command
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3
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18
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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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14
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May 16, 2025
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Unstable modes in fitfc
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3
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23
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May 1, 2025
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genstr with symm. equivalent structure
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1
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9
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April 30, 2025
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ATAT mcsqs (Segmentation fault (core dumped))
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1
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26
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April 30, 2025
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Is it Expected for Output Structure to Deviate from FCC Seed Framework When Using
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1
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6
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April 30, 2025
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Error in trying out MCSQS
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3
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35
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April 27, 2025
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Short-range order correction in sqs2tdb
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1
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22
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April 19, 2025
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SQS Generation for HCP TiAlV Alloy and DFT Convergence Issues
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1
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32
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April 16, 2025
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Intallation error
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6
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36
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April 15, 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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0
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15
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April 14, 2025
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Help with defining fcc cell of In0.52Ga0.48As
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1
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17
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April 10, 2025
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Issue with sqs2tdb -fit in ATAT for Complex Lattices
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2
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25
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April 9, 2025
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mcsqs-Unable to open random structure file
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3
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20
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April 2, 2025
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How to get the rndstr.in about C14 laves structure
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1
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14
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April 2, 2025
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Empty str.out and wait files from sqs2tdb (WSL-Ubuntu)
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1
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10
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April 2, 2025
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why
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1
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20
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April 2, 2025
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MCSQS Example
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1
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34
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April 2, 2025
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how to run mcsqs
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1
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13
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April 2, 2025
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How to accelerate mcsqs?
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1
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20
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April 2, 2025
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mcsqs for hcp lattice
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1
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15
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April 2, 2025
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Incompatible supercell size error
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1
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9
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April 2, 2025
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How to create SQS on other crystal structuers (non cubic)
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1
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12
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April 2, 2025
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How to generate a solid solution to use in VASP calculations
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1
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16
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April 2, 2025
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mcsqs temperature
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1
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6
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April 2, 2025
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Use LAMMPS instead of VASP
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3
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49
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April 2, 2025
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Are there some potentials in the ATAT to describe atoms?
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1
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7
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April 2, 2025
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Issues with Make
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2
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10
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April 2, 2025
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