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Hiphive is not able to correct the little negative modes
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1
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437
|
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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675
|
February 13, 2023
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Using real DFT calculations instead of EMT potential
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2
|
467
|
February 2, 2023
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Difference rmse for train and test
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4
|
555
|
January 5, 2023
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Forece constants conversion from hiphive to hdf5 question?
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2
|
487
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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
|
365
|
December 10, 2022
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Read and convert ASE fcs to Phonopy format
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1
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476
|
October 12, 2022
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Enforcing rotational symmetry to phonopy obtained FC
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3
|
700
|
August 5, 2022
|
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Unable to read force_constant
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2
|
740
|
July 14, 2022
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Third-order force constants exactly null
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|
3
|
584
|
June 30, 2022
|
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Application of Rotational Sum Rule for SnS monolayer
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|
38
|
1590
|
June 21, 2022
|
|
What is the accepatble level of the force error?
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|
5
|
611
|
June 16, 2022
|
|
Long execution time for the optimizer training step
|
|
11
|
572
|
June 16, 2022
|
|
List of unique and equivalent elements in interatomic force constants
|
|
5
|
431
|
June 1, 2022
|
|
Fourth order force constants
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|
5
|
874
|
May 30, 2022
|
|
Format of supercells_rattled.extxyz
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2
|
531
|
May 25, 2022
|
|
Strategy for using hiphive for disordered systems
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|
3
|
446
|
May 25, 2022
|
|
Sorry, new users can not upload attachments
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0
|
334
|
May 19, 2022
|
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Force constants calculated with phonopy
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|
4
|
876
|
May 3, 2022
|
|
Force constants for large systems are difficult to extract
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|
2
|
566
|
April 21, 2022
|
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Wrong ultralow thermal conductivity
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|
1
|
889
|
October 14, 2021
|
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Assistance with Hiphive Advanced Topic Example
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3
|
1109
|
October 3, 2021
|