|
4th order effective harmonic model
|
|
4
|
35
|
March 28, 2025
|
|
4th-order force constants
|
|
8
|
674
|
March 5, 2025
|
|
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
|
|
3
|
66
|
November 18, 2024
|
|
No module named tools
|
|
1
|
20
|
November 2, 2024
|
|
Create database from external DFT calculations
|
|
2
|
62
|
August 30, 2024
|
|
Build effective harmonic model for conventional cell
|
|
4
|
159
|
July 29, 2024
|
|
No module named 'helpers'
|
|
2
|
160
|
July 15, 2024
|
|
Comparsion between hiphive and phonopy
|
|
1
|
116
|
July 14, 2024
|
|
Warning Found two shells within 2 * dist_tol
|
|
5
|
112
|
May 30, 2024
|
|
Runing hiphive on supercomputer
|
|
4
|
149
|
May 15, 2024
|
|
How to insert symmetry tolerance (symprec) tag in the hiPhive python script?
|
|
1
|
135
|
April 25, 2024
|
|
Inconsistent results between phonon rattling and MD
|
|
11
|
458
|
April 15, 2024
|
|
Convert effective harmonic model to phonopy format
|
|
4
|
191
|
April 8, 2024
|
|
Phonon rattle structure generation
|
|
2
|
221
|
March 31, 2024
|
|
ModuleNotFoundError: No module named 'hiphive.fitting'
|
|
1
|
228
|
February 20, 2024
|
|
How to use hipfive
|
|
1
|
380
|
January 3, 2024
|
|
MD simulation
|
|
11
|
612
|
November 13, 2023
|
|
Error in generating 3rd and fourth force constants
|
|
3
|
248
|
November 10, 2023
|
|
Thermal conductivity from MD
|
|
3
|
429
|
October 17, 2023
|
|
SCPH error
|
|
2
|
263
|
October 5, 2023
|
|
hiPhive dispersion curve differs from phonopy one
|
|
2
|
341
|
September 5, 2023
|
|
Set up structure container for structures & forces calculated by DFT
|
|
7
|
402
|
August 15, 2023
|
|
3rd order force constant(Order not in order)
|
|
5
|
417
|
July 13, 2023
|
|
Generate_mc_rattled_structures error
|
|
3
|
292
|
July 6, 2023
|
|
'Order not in orders' error
|
|
1
|
243
|
May 26, 2023
|
|
AttributeError while running "long-range-corrections.ipynb"
|
|
1
|
362
|
March 4, 2023
|
|
Hiphive is not able to correct the little negative modes
|
|
1
|
405
|
February 21, 2023
|
|
The conversion of the second-order(third-order) force constants about tdep format
|
|
1
|
656
|
February 13, 2023
|
|
Using real DFT calculations instead of EMT potential
|
|
2
|
455
|
February 2, 2023
|
|
Difference rmse for train and test
|
|
4
|
523
|
January 5, 2023
|