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4th-order force constants
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8
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592
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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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36
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November 18, 2024
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No module named tools
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1
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14
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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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50
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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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141
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July 29, 2024
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No module named 'helpers'
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2
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107
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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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98
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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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108
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May 30, 2024
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Runing hiphive on supercomputer
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4
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137
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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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129
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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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426
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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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171
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April 8, 2024
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Phonon rattle structure generation
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2
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210
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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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216
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February 20, 2024
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How to use hipfive
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1
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361
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January 3, 2024
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MD simulation
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11
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580
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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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245
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November 10, 2023
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Thermal conductivity from MD
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3
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387
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October 17, 2023
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SCPH error
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2
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257
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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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325
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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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386
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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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399
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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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285
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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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243
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May 26, 2023
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AttributeError while running "long-range-corrections.ipynb"
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1
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357
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March 4, 2023
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Hiphive is not able to correct the little negative modes
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1
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395
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February 21, 2023
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The conversion of the second-order(third-order) force constants about tdep format
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1
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645
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February 13, 2023
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Using real DFT calculations instead of EMT potential
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2
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446
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February 2, 2023
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Difference rmse for train and test
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4
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492
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January 5, 2023
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Forece constants conversion from hiphive to hdf5 question?
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2
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467
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December 27, 2022
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