[QE-users] calculating heat capacity at constant volume with QHA package

Mohad Abbasnejad mohaddeseh.abbasnejad at gmail.com
Sat Sep 19 00:10:00 CEST 2020


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 thermoـpower
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.abbasnejad at gmail.com
Website:  academicstaff.uk.ac.ir/moabbasnejad
---------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200919/18b1ae2e/attachment.html>


More information about the users mailing list