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issues while generating MCSQS for partially delithiated layered LiCoO2 system
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1
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37
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November 3, 2026
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Regarding the example lattic for rocksalt structure
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1
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92
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September 30, 2026
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How to do PRDF calculation on the SimplySQS.com web version
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1
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87
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June 11, 2026
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The atomic model of the HCP structure fails to assign atomic coordinates during calculation.
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6
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173
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May 19, 2026
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Mmaps
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4
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104
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April 26, 2026
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Questions about SQS generation for ceramic systems (e.g., Li-rich layered oxides)
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3
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180
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April 3, 2026
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Unique configurations for 441 MoS2 supercell (4 dopants)
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2
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90
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March 3, 2026
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Using `func` in place of `energy` in `sqs2tdb` 3.50
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0
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52
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February 2, 2026
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Getting only e in predstr.out
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0
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52
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January 13, 2026
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[sysadmin] ATAT 3.50 installation now available in EasyBuild
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0
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130
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December 1, 2025
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Fitting issues in DFT U calculations using MMAPS
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0
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64
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November 25, 2025
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Wrong Enthalpy of mixing values with conventional BCC cell
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0
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70
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November 19, 2025
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New code to calculate melting points: SLUSCHI
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2
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117
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November 17, 2025
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A question about the svsl code and slspring.out file in the ATAT
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0
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55
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November 12, 2025
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MAGATOM in vasp.wrap and MAGMOM
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2
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101
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November 5, 2025
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Fitting problems of magnetic atoms using MAPS
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3
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138
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November 4, 2025
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MAGATOM: POSCAR section in vasp.wrap and MAGMOM
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3
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157
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November 3, 2025
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Repeatation of structures
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0
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59
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October 24, 2025
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Can tensorial cluster expansion be used for Monte Carlo simulations in ATAT?
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0
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52
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October 16, 2025
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Interactive online interface for creating input files for generation of SQS in ATAT mcsqs
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2
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262
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October 14, 2025
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output structure during MC
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0
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62
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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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156
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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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79
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September 23, 2025
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MCSQS - Segmentation Fault
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3
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215
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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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145
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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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92
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September 8, 2025
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mmaps queries
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1
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98
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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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141
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September 6, 2025
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Unstable modes in fitfc
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5
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162
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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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93
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September 6, 2025
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