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

this is simple, you have the total energy as well as the optimized
volume for a given pressure, therefore you just need to get
e+pv for different pressure values.. you have to do it for all
different structures you are considering and then obtain the transition
pressure by equating the different enthalpies

regards

> Dear users,
> I would calculate the transition pressure, how can I calculate the
> enthalpie
> versus pressure with abinit?
>


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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