Version 5.0 of the General Utility Lattice Program (GULP) has support for creating ShengBTE inputs. Specifically, the program can create CONTROL, FORCE_CONSTANTS_2ND and FORCE_CONSTANTS_3RD files for thermal conductivity calculations based on semiempirical potentials. GULP can be downloaded from: under the terms of its own license. Please note that the ShengBTE team is not affiliated with GULP.http://gulp.curtin.edu.au/gulp/ |
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