[QE-users] [Phonopy error] "Parsing "scf-001.out" failed"

[임용식]

Hello all~



I'm trying to draw the "Phonon dispersion" of KTaO3 using Phonopy via Quantum Espresso 7.2.



I followed the specfic process as presented here(https://phonopy.github.io/phonopy/qe.html).



I made the supercell 2x2x2.



But in creating "FORCE_SETS", the following error occurred.:



-------------------------------------------------------------------------------------------------------------

_

_ __ | |__ ___ _ __ ___ _ __ _ _

| '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | |

| |_) | | | | (_) | | | | (_) || |_) | |_| |

| .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, |

|_| |_| |___/

2.16.3



Python version 3.9.13

Spglib version 2.0.2



Calculator interface: qe

Displacements were read from "phonopy_disp.yaml".

1.

*****************************************

***** Parsing "scf-001.out" failed. *****

*****************************************

2.

*****************************************

***** Parsing "scf-002.out" failed. *****

*****************************************

3.

*****************************************

***** Parsing "scf-003.out" failed. *****

*****************************************

FORCE_SETS could not be created.

-------------------------------------------------------------------------------------------------------



Question) What is a problem??



I didnt' find out the reason.



Would you help me?





Thank you.



Sincerely





P.S I attach all the input file("scf*.in", "header.in", "supercell*.in") & output one( "phonopy_disp.yaml", "scf*.out").



Yongsik Lym



Gwangju Institute Science & Technology.


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