The ABINIT Users Mailing List ( CLOSED )

["Aldo Humberto Romero" <aromero@qro.cinvestav.mx>]

Well, the practice to calculate Gamma point phonons as well
as the Gruneissen parameters is already in the tutorial and some
of the tests included in the code.

My group and many others have use the Abinit implementation to calculate
such quantities. Therefore, if you are interested, follow the tutorial
with care, specially the linear response part.

Regards


->    hello everybody:
->
->    I am new user with abinit code.
->
->     Have anyone tried to  calculate mode grunseisen and dilatation thermal
-> using abinit code?
->
->    thanks...
->


-- 

Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938

email: aromero@qro.cinvestav.mx
        aldorome@gmail.com
www: qro.cinvestav.mx/~aromero