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Issues with 3rd order force constants in Silicon thermal conductivity calculation
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1
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114
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May 19, 2026
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Possible issue with ShengBTE FORCE_CONSTANTS_3RD file handling
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4
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211
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November 14, 2025
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Constructing final structure from FCP
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4
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132
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October 18, 2025
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Rotational symmetry enforcement for third-order force constants
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1
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107
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September 4, 2025
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Wrong 2nd order force constants for silion
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1
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130
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August 29, 2025
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4th order effective harmonic model
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4
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138
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March 28, 2025
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4th-order force constants
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8
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951
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March 5, 2025
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Hello everyone. I am trying to calculate the FORCE CONSTANTS for shengBTE the 2nd and 3rd IFCS were getting easily but when it comes to the 4th order its shows the following error
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3
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160
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November 18, 2024
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No module named tools
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1
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64
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November 2, 2024
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Create database from external DFT calculations
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2
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113
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August 30, 2024
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Build effective harmonic model for conventional cell
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4
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238
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July 29, 2024
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No module named 'helpers'
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2
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242
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July 15, 2024
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Comparsion between hiphive and phonopy
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1
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190
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July 14, 2024
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Warning Found two shells within 2 * dist_tol
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5
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198
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May 30, 2024
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Runing hiphive on supercomputer
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4
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225
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May 15, 2024
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How to insert symmetry tolerance (symprec) tag in the hiPhive python script?
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1
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191
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April 25, 2024
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Inconsistent results between phonon rattling and MD
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11
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679
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April 15, 2024
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Convert effective harmonic model to phonopy format
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4
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272
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April 8, 2024
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Phonon rattle structure generation
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2
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302
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March 31, 2024
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ModuleNotFoundError: No module named 'hiphive.fitting'
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1
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266
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February 20, 2024
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How to use hipfive
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1
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465
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January 3, 2024
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MD simulation
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11
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762
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November 13, 2023
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Error in generating 3rd and fourth force constants
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3
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322
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November 10, 2023
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Thermal conductivity from MD
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3
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557
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October 17, 2023
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SCPH error
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2
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303
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October 5, 2023
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hiPhive dispersion curve differs from phonopy one
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2
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431
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September 5, 2023
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Set up structure container for structures & forces calculated by DFT
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7
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494
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August 15, 2023
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3rd order force constant(Order not in order)
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5
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494
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July 13, 2023
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Generate_mc_rattled_structures error
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3
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340
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July 6, 2023
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'Order not in orders' error
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1
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273
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May 26, 2023
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