[QE-users] A question about the use of lambda.x

[Piotr Szkudlarek]

Thank you very much for your help!

Regards,
Piotr Szkudlarek

pon., 18 lip 2022 o 14:04 Paolo Giannozzi <paolo.giannozzi at uniud.it>
napisał(a):

> On 7/18/22 13:20, Piotr Szkudlarek wrote:
>
> > It is worth noting that my system has 40 atoms. Can that be the reason
> > for "too many modes" error?
>
> if you look inside the code you will find the answer:
>
>    integer, parameter:: npk=200, nsigx=50, nmodex=100, nex=200
> [..]
>       if (nmodes.le.0.or.nmodes.gt.nmodex) &
>            call errore('lambda','wrong # or too many modes',nmodex)
>
> (nmodes = 3 times the number of atoms = 120 > 100)
>
> As a general remark: lambda.x is NOT a finished and polished,
> general-purpose piece of software. It's a simple code that processes the
> data produced by an electron-phonon run. It is kept in the distribution
> in the hope that it is useful, but one should be ready to look inside it
> if it isn't
>
> Paolo
>
> > niedz., 17 lip 2022 o 21:28 Piotr Szkudlarek
> > <p.szkudlarek at cent.uw.edu.pl <mailto:p.szkudlarek at cent.uw.edu.pl>>
> > napisał(a):
> >
> >     Dear QE users,
> >     I am trying to calculate the critical temperature of my system.
> >     However, when I try to compute it using lambda.x, I am getting an
> >     error saying "wrong # or too many modes".
> >     Do you have any idea that could be the source of my problem?
> >     Your faithfully,
> >     Piotr Szkudlarek
> >
> >
> > _______________________________________________
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> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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