I want to calculate the lattice thermal conductivity of Bi2Te2Se. I calculated second-order Force constants using phonopy and third order force constants using Third_order.py.v.1.1.1.
But when I run ShengBTE, I am getting the following error.
At line 116 of file config.f90 (unit = 1, file = 'CONTROL')
Fortran runtime error: Cannot match namelist object name 0705
Could anyone help me to figure out this error? I have successfully run the TEST-VASP example provided with ShengBTE.
The required files are attached herewith.
Any help is highly appreciated.