[QE-users] Error Message while performing SCF.in

[Cignarella Chiara]

Dear Jahid,


this doesn't seems an error due to the input file, which look's good. It seems more a problem of the modules/compilers. Are you running on a cluster? Did you load all the necessary modules before (the same ones you use to compile Quantum Espresso)?



Best

Chiara Cignarella

THEOS, EPFL Lausanne

Switzerland

________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di Md. Jahid Hasan Sagor <md.sagor at maine.edu>
Inviato: mercoledì 21 giugno 2023 00:44:38
A: Quantum ESPRESSO users Forum
Oggetto: [QE-users] Error Message while performing SCF.in

Hi,

Can anyone please help to identify why I am getting an error message while running the scf.in<http://scf.in> (GaAs)? sdc.txt attached here is the error message. And scf.in<http://scf.in> is also attached here. I couldn't find my mistakes to prepare the scf.in<http://scf.in>. Your help is much appreciated.

Best
Md Jahid Hasan
Mechanical Engineering
University of Maine, USA
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