Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case

21.15109/ARP/EXJKGLToth, BalazsBalazsToth0009-0007-8737-3182Wigner Research Centre for PhysicsGali, ÁdámÁdámGali0000-0002-3339-5470Wigner Research Centre for PhysicsThiering, GergőGergőThiering0000-0003-3357-5583Wigner Research Centre for PhysicsExe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller caseARP2025PhysicsVASPdynamic Jahn-Teller effectPoint defectDFTdefect qubitToth, BalazsWigner Research Centre for Physics2025-07-312026-02-05VASP INCAR, OUTCAR, vasprun.xml, POSCAR etc. input/output files.9198292159377395341052104615018722890563126561513416application/gzipapplication/gziptext/csvtext/csvtext/csvtext/csvtext/csvapplication/gziptext/csvtext/csvtext/markdown4.0CC BY 4.0This dataset accompanies the research article about Python code Exe.py that can be used to investigate E⊗e dynamic Jahn-Teller systems.