Electronic free energy (Felect)

The program Felect is able to evaluate the electronic entropy and free energy at finite temperature, given as input a VASP EIGENVAL file. It attempts to calculate the temperature-dependent electron chemical potential, and also has an option to input a Fermi energy and fix the chemical potential at that value. A dense k-point mesh is required for accurate results. The syntax is

cat EIGENVAL | Felect -T0 100 -T1 2000 -dT 10


cat EIGENVAL | Felect -T0 100 -T1 2000 -dT 10 -mu EF -FixedMu