You can use the boltztrap code for every structure

What's the problem of inversion symmetry ?

you will find the following links beneficial for you

http://wien2k-algerien1970.blogspot.com/2016/09/the-installation-and-execution-of.html

http://wien2k-algerien1970.blogspot.com/2016/09/the-installation-and-execution-of_23.html

-- 
Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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