Dear Mojtaba Mirseraji You may consider the advice given by Prof. Stefano. other tool is thermo_pw, which may solve your purpose.
-- Regards Dr. Bramha P Pandey Asstt. Prof. ECE Deptt. GLA University, Mathura (U.P) India-281406. On Thu, Jan 7, 2016 at 9:04 PM, Bahadır salmankurt <[email protected]> wrote: > Dear Mojtaba Mirseraji > > ev.x code can calculate Bulk modulus and its deriviate. On the other hand, > ElasTic code ,which can work together QE, calculates elastic constants > which is related to shear modulus, B/G ratio , etc... other ways to obtain > elastic constants is also available, as mentioned above... > > Bests > > 2016-01-07 17:20 GMT+02:00 Mojtaba Mirseraji <[email protected]>: > >> Dear Users >> >> This is a serious question for me that why QE can not calculate >> Elastic constants, Bulk modulues, Shear modulus and all quantities >> related to Murrnaghan Formula? >> >> Because I know that other Codes such as Wien2k can calculate them !!!!!!!! >> Have you used a simple code to calculate them? >> >> Thanks >> >> Mojtaba Mirseraji >> Ph.D. Candidate >> Computational Condensed Matter Physics >> Arak Univ. >> Arak, IRAN >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > > Bahadır SALMANKURT > PhD student > Sakarya University, TURKEY > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
