Hello dear quantum espresso users I want to calculate heat capacity at constant volume with the qha package for monoclinic and triclinic structures. i don't want to use thermoÙ€power package' Is there any way or trick for doing this?
Best kinds Mohaddeseh --------------------------------------------------------- Mohaddeseh Abbasnejad, Assistant Professor of Physics, Faculty of Physics, Shahid Bahonar University of Kerman, Kerman, Iran P.O. Box 76169-133 Tel: +98 34 31322199 Fax: +98 34 33257434 Cellphone: +98 917 731 7514 E-Mail: mohaddeseh.abbasne...@gmail.com Website: academicstaff.uk.ac.ir/moabbasnejad ---------------------------------------------------------
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