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Releases: dalcorso/thermo_pw

thermo_pw.1.9.1

14 Feb 13:11
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This version is identical to 1.9.0 but it is compatible with QE7.3.

thermo_pw.1.9.0

26 Jan 09:34
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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

05 May 16:44
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This version is identical to 1.8.0 but it is compatible with QE7.2.

thermo_pw.1.8.0

26 Apr 16:46
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A reorganization of the plots of the thermodynamic quantities
as a function of pressure.

Several bugs fixed.

thermo_pw.1.7.1

05 Jul 16:33
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This release is identical to 1.7.0 but it is compatible with Quantum Espresso 7.1.

thermo_pw.1.7.0

05 Jul 13:27
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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

10 Jan 18:23
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This version is identical to 1.6.0 but it is compatible with
Quantum Espresso 7.0.

thermo_pw.1.6.0

27 Dec 15:50
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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

22 Jul 12:27
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This release is identical to 1.5.0 but it is compatible with Quantum-ESPRESSO 6.8.

thermo_pw.1.5.0

19 Jul 17:06
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This release is similar to 1.4.1 and is compatible with QE.6.7.
It contains mainly bug corrections and some experimental additions.