Thanks to all On 1/8/16, Bramha Pandey <[email protected]> wrote: > 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 >> >
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