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
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_______________________________________________
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
