[Wien] Regarding adding BoltzTraP to WIEN2k in graphical interface w2web

Mohaddeseh Abbasnejad Tue, 16 Feb 2021 02:19:16 -0800 Dear users. Hello everyone I was wondering if you would guide me how I can add Bolt…

Thermodynamics of Point Defects in Solids with WIEN2k and Spinney

http://www.wien2k.at/events/ws2019/Arrigoni_Spinney.pdf

gibbs calculation (from wien mailing list)

[Wien] gibbs calculation MAHDI SALMANI HIRMAND   Tue, 20 May 2014 00:46:32 -0700 Dear WIEN2k users, Is there a program for finding gibbs valu…

[Wien] How to get lattice parameter as a function of pressure?

[Wien] How to get lattice parameter as a function of pressure? Wangwei Lan   Fri, 27 May 2016 08:13:15 -0700 Dear WIEN2K user, Can you tell …

GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

M.A. Blanco ∗, E. Francisco , V. Luaña  Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006 Oviedo, S…

Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

Abstract: We describe in this article the techniques developed for the robust treatment of the static energy versus volume theoretical curve in…

How to calculate the thermodynamical properties with the package Gibbs with wien2k-14