Releases: dalcorso/thermo_pw
thermo_pw.1.9.1
thermo_pw.1.9.0
Several new plots as a function of temperature or pressure:
density, Pugh ratio, logitudinal modulus, etc.
Experimental acceleration for small systems with many k points.
thermo_pw.1.8.1
This version is identical to 1.8.0 but it is compatible with QE7.2.
thermo_pw.1.8.0
A reorganization of the plots of the thermodynamic quantities
as a function of pressure.
Several bugs fixed.
thermo_pw.1.7.1
This release is identical to 1.7.0 but it is compatible with Quantum Espresso 7.1.
thermo_pw.1.7.0
This release contains a rearrangement of the plots of anharmonic quantities
in the isotropic case.
Added the plots of energy, free energy, and entropy as a function of temperature for several pressures.
This version is compatible with Quantum Espresso 7.0.
thermo_pw.1.6.1
This version is identical to 1.6.0 but it is compatible with
Quantum Espresso 7.0.
thermo_pw.1.6.0
This release adds the possibility to plot several quantities as a function of pressure.
It adds also the possibility to use the Birch-Murnaghan equation of 3rd or 4th order as
an equation of state to fit the energy as a function of volume.
ev_sub.f90 updated with the one of QE.
This version is compatible with QE 6.8.
thermo_pw.1.5.1
This release is identical to 1.5.0 but it is compatible with Quantum-ESPRESSO 6.8.
thermo_pw.1.5.0
This release is similar to 1.4.1 and is compatible with QE.6.7.
It contains mainly bug corrections and some experimental additions.