<div dir="ltr">Thank you very much for your help!<div><br></div><div>Regards,</div><div>Piotr Szkudlarek</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">pon., 18 lip 2022 o 14:04 Paolo Giannozzi <<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> napisał(a):<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">On 7/18/22 13:20, Piotr Szkudlarek wrote:<br>
<br>
> It is worth noting that my system has 40 atoms. Can that be the reason <br>
> for "too many modes" error?<br>
<br>
if you look inside the code you will find the answer:<br>
<br>
integer, parameter:: npk=200, nsigx=50, nmodex=100, nex=200<br>
[..]<br>
if (<a href="http://nmodes.le.0.or.nmodes.gt" target="_blank">nmodes.le.0.or.nmodes.gt</a>.nmodex) &<br>
call errore('lambda','wrong # or too many modes',nmodex)<br>
<br>
(nmodes = 3 times the number of atoms = 120 > 100)<br>
<br>
As a general remark: lambda.x is NOT a finished and polished, <br>
general-purpose piece of software. It's a simple code that processes the <br>
data produced by an electron-phonon run. It is kept in the distribution <br>
in the hope that it is useful, but one should be ready to look inside it <br>
if it isn't<br>
<br>
Paolo<br>
<br>
> niedz., 17 lip 2022 o 21:28 Piotr Szkudlarek <br>
> <<a href="mailto:p.szkudlarek@cent.uw.edu.pl" target="_blank">p.szkudlarek@cent.uw.edu.pl</a> <mailto:<a href="mailto:p.szkudlarek@cent.uw.edu.pl" target="_blank">p.szkudlarek@cent.uw.edu.pl</a>>> <br>
> napisał(a):<br>
> <br>
> Dear QE users,<br>
> I am trying to calculate the critical temperature of my system.<br>
> However, when I try to compute it using lambda.x, I am getting an<br>
> error saying "wrong # or too many modes".<br>
> Do you have any idea that could be the source of my problem?<br>
> Your faithfully,<br>
> Piotr Szkudlarek<br>
> <br>
> <br>
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<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
_______________________________________________<br>
The Quantum ESPRESSO community stands by the Ukrainian<br>
people and expresses its concerns about the devastating<br>
effects that the Russian military offensive has on their<br>
country and on the free and peaceful scientific, cultural,<br>
and economic cooperation amongst peoples<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
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