Thank you very much for your help! Regards, Piotr Szkudlarek
pon., 18 lip 2022 o 14:04 Paolo Giannozzi <[email protected]> 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 > > <[email protected] <mailto:[email protected]>> > > 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 > > > > > > _______________________________________________ > > 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 [email protected] > > https://lists.quantum-espresso.org/mailman/listinfo/users > > -- > 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 [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ 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 [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
