Yes Dr Giovanni. We're working on that.
I appreciate your time, Isaiah On Fri, Jul 28, 2017 at 1:34 PM, Giovanni Cantele < [email protected]> wrote: > I’m not an expert about el-ph calculations. However, if it were a > calculation made by myself, > I would never trust Tc values obtained after modifying by hand lambda.f90, > even if they were perfectly reasonable. > > el-ph calculations for sure require extremely well converged electron > calculations as well as well extremely well converged phonon > calculations. So I would go through the phonon calculation, understand why > there are negative frequencies and, > even once you have obtained all positive frequencies, understand whether > or not they are converged. > > Giovanni > > > On 28 Jul 2017, at 13:26, Isaiah Moses <[email protected]> wrote: > > Thanks a lot, Dr Giovanni. > I appreciate your response. > We observed few values of frequencies to be negative. > Matdyn1 has few more with others having either the first or the first 2/3 > to be negative. > We set those to be zero, modifying lambda.f90 code. > > Could that be the problem? > > I've attached the input/output for lambda.x execution. Also matdyn1. > > There are 62-points and 33 irreps. > I appreciate your time. > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > <CyanoPh_lambda.in><CyanoPh_lambda.out><matdyn1>__________ > _____________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > -- > > Giovanni Cantele, PhD > CNR-SPIN > c/o Dipartimento di Fisica > Universita' di Napoli "Federico II" > Complesso Universitario M. S. Angelo - Ed. 6 > Via Cintia, I-80126, Napoli, Italy > e-mail: [email protected] > Phone: +39 081 676910 > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.fisica.unina.it/~cantele > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
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