[DFTB-Plus-User] Heat capacity

Alessandro LANDI alelandi1 at unisa.it
Wed Jan 20 16:55:10 CET 2021


Dear DFTB+ users,

I am interested in using DFTB+ to evaluate the heat capacity of a solid. I
have found some articles (e.g. doi:10.3390/pharmaceutics12050415) saying it
is possible, but I have found nothing on the manuals or on the recipes.

Can you please tell me whether it is possible or not and where I should
look for an example?

Thank you for any help you can give me.

Best regards,
Alessandro

-- 
Alessandro Landi, Assegnista di Ricerca
Dipartimento di Chimica e Biologia "Adolfo Zambelli"
Università degli Studi di Salerno
Via Giovanni Paolo II, 132 - 84084 - Fisciano (SA)
Phone number 089969390
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20210120/b139f37b/attachment.htm>


More information about the DFTB-Plus-User mailing list