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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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28
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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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257
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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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65
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April 8, 2024
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Phonon rattle structure generation
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2
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80
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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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77
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February 20, 2024
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How to use hipfive
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1
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245
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January 3, 2024
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MD simulation
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11
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403
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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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142
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November 10, 2023
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4th-order force constants
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7
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297
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October 31, 2023
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Thermal conductivity from MD
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3
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222
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October 17, 2023
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SCPH error
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2
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181
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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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227
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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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271
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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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305
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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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208
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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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193
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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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262
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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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316
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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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534
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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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376
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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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384
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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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389
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December 27, 2022
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What is the best strategy of extracting 3rd force constants?
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1
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309
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December 10, 2022
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Read and convert ASE fcs to Phonopy format
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1
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384
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October 12, 2022
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Enforcing rotational symmetry to phonopy obtained FC
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3
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475
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August 5, 2022
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Unable to read force_constant
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2
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533
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July 14, 2022
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Third-order force constants exactly null
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3
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453
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June 30, 2022
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Application of Rotational Sum Rule for SnS monolayer
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38
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1232
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June 21, 2022
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What is the accepatble level of the force error?
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5
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502
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June 16, 2022
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Long execution time for the optimizer training step
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11
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459
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June 16, 2022
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