|
How to insert symmetry tolerance (symprec) tag in the hiPhive python script?
|
|
1
|
32
|
April 25, 2024
|
|
Inconsistent results between phonon rattling and MD
|
|
11
|
266
|
April 15, 2024
|
|
Convert effective harmonic model to phonopy format
|
|
4
|
68
|
April 8, 2024
|
|
Phonon rattle structure generation
|
|
2
|
81
|
March 31, 2024
|
|
ModuleNotFoundError: No module named 'hiphive.fitting'
|
|
1
|
81
|
February 20, 2024
|
|
How to use hipfive
|
|
1
|
246
|
January 3, 2024
|
|
MD simulation
|
|
11
|
412
|
November 13, 2023
|
|
Error in generating 3rd and fourth force constants
|
|
3
|
146
|
November 10, 2023
|
|
4th-order force constants
|
|
7
|
305
|
October 31, 2023
|
|
Thermal conductivity from MD
|
|
3
|
224
|
October 17, 2023
|
|
SCPH error
|
|
2
|
184
|
October 5, 2023
|
|
hiPhive dispersion curve differs from phonopy one
|
|
2
|
229
|
September 5, 2023
|
|
Set up structure container for structures & forces calculated by DFT
|
|
7
|
273
|
August 15, 2023
|
|
3rd order force constant(Order not in order)
|
|
5
|
309
|
July 13, 2023
|
|
Generate_mc_rattled_structures error
|
|
3
|
209
|
July 6, 2023
|
|
'Order not in orders' error
|
|
1
|
195
|
May 26, 2023
|
|
AttributeError while running "long-range-corrections.ipynb"
|
|
1
|
265
|
March 4, 2023
|
|
Hiphive is not able to correct the little negative modes
|
|
1
|
319
|
February 21, 2023
|
|
The conversion of the second-order(third-order) force constants about tdep format
|
|
1
|
536
|
February 13, 2023
|
|
Using real DFT calculations instead of EMT potential
|
|
2
|
377
|
February 2, 2023
|
|
Difference rmse for train and test
|
|
4
|
387
|
January 5, 2023
|
|
Forece constants conversion from hiphive to hdf5 question?
|
|
2
|
391
|
December 27, 2022
|
|
What is the best strategy of extracting 3rd force constants?
|
|
1
|
310
|
December 10, 2022
|
|
Read and convert ASE fcs to Phonopy format
|
|
1
|
386
|
October 12, 2022
|
|
Enforcing rotational symmetry to phonopy obtained FC
|
|
3
|
479
|
August 5, 2022
|
|
Unable to read force_constant
|
|
2
|
540
|
July 14, 2022
|
|
Third-order force constants exactly null
|
|
3
|
456
|
June 30, 2022
|
|
Application of Rotational Sum Rule for SnS monolayer
|
|
38
|
1236
|
June 21, 2022
|
|
What is the accepatble level of the force error?
|
|
5
|
504
|
June 16, 2022
|
|
Long execution time for the optimizer training step
|
|
11
|
462
|
June 16, 2022
|