|
Possible issue with ShengBTE FORCE_CONSTANTS_3RD file handling
|
|
4
|
30
|
November 14, 2025
|
|
Constructing final structure from FCP
|
|
4
|
39
|
October 18, 2025
|
|
Rotational symmetry enforcement for third-order force constants
|
|
1
|
28
|
September 4, 2025
|
|
Wrong 2nd order force constants for silion
|
|
1
|
37
|
August 29, 2025
|
|
4th order effective harmonic model
|
|
4
|
66
|
March 28, 2025
|
|
4th-order force constants
|
|
8
|
750
|
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
|
103
|
November 18, 2024
|
|
No module named tools
|
|
1
|
30
|
November 2, 2024
|
|
Create database from external DFT calculations
|
|
2
|
75
|
August 30, 2024
|
|
Build effective harmonic model for conventional cell
|
|
4
|
177
|
July 29, 2024
|
|
No module named 'helpers'
|
|
2
|
181
|
July 15, 2024
|
|
Comparsion between hiphive and phonopy
|
|
1
|
132
|
July 14, 2024
|
|
Warning Found two shells within 2 * dist_tol
|
|
5
|
124
|
May 30, 2024
|
|
Runing hiphive on supercomputer
|
|
4
|
160
|
May 15, 2024
|
|
How to insert symmetry tolerance (symprec) tag in the hiPhive python script?
|
|
1
|
145
|
April 25, 2024
|
|
Inconsistent results between phonon rattling and MD
|
|
11
|
507
|
April 15, 2024
|
|
Convert effective harmonic model to phonopy format
|
|
4
|
205
|
April 8, 2024
|
|
Phonon rattle structure generation
|
|
2
|
238
|
March 31, 2024
|
|
ModuleNotFoundError: No module named 'hiphive.fitting'
|
|
1
|
244
|
February 20, 2024
|
|
How to use hipfive
|
|
1
|
401
|
January 3, 2024
|
|
MD simulation
|
|
11
|
636
|
November 13, 2023
|
|
Error in generating 3rd and fourth force constants
|
|
3
|
262
|
November 10, 2023
|
|
Thermal conductivity from MD
|
|
3
|
462
|
October 17, 2023
|
|
SCPH error
|
|
2
|
271
|
October 5, 2023
|
|
hiPhive dispersion curve differs from phonopy one
|
|
2
|
363
|
September 5, 2023
|
|
Set up structure container for structures & forces calculated by DFT
|
|
7
|
408
|
August 15, 2023
|
|
3rd order force constant(Order not in order)
|
|
5
|
422
|
July 13, 2023
|
|
Generate_mc_rattled_structures error
|
|
3
|
304
|
July 6, 2023
|
|
'Order not in orders' error
|
|
1
|
245
|
May 26, 2023
|
|
AttributeError while running "long-range-corrections.ipynb"
|
|
1
|
369
|
March 4, 2023
|