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AttributeError while running "long-range-corrections.ipynb"
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1
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378
|
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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455
|
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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679
|
February 13, 2023
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Using real DFT calculations instead of EMT potential
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2
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477
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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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585
|
January 5, 2023
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Forece constants conversion from hiphive to hdf5 question?
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2
|
492
|
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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375
|
December 10, 2022
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Read and convert ASE fcs to Phonopy format
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1
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483
|
October 12, 2022
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Enforcing rotational symmetry to phonopy obtained FC
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3
|
719
|
August 5, 2022
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Unable to read force_constant
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2
|
758
|
July 14, 2022
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Third-order force constants exactly null
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3
|
599
|
June 30, 2022
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Application of Rotational Sum Rule for SnS monolayer
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38
|
1708
|
June 21, 2022
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What is the accepatble level of the force error?
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5
|
634
|
June 16, 2022
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Long execution time for the optimizer training step
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11
|
608
|
June 16, 2022
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List of unique and equivalent elements in interatomic force constants
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|
5
|
442
|
June 1, 2022
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Fourth order force constants
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5
|
898
|
May 30, 2022
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Format of supercells_rattled.extxyz
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2
|
546
|
May 25, 2022
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Strategy for using hiphive for disordered systems
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3
|
460
|
May 25, 2022
|
|
Sorry, new users can not upload attachments
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0
|
344
|
May 19, 2022
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Force constants calculated with phonopy
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|
4
|
905
|
May 3, 2022
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Force constants for large systems are difficult to extract
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2
|
581
|
April 21, 2022
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Wrong ultralow thermal conductivity
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1
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905
|
October 14, 2021
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Assistance with Hiphive Advanced Topic Example
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3
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1135
|
October 3, 2021
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