[QE-users] Problem in using meta-GGA function in QE6.4.1

[Shoaib Muhammad]

Dear User and Developers,

I am unable to converge my SCF calculations in Quantum Espresso 6.4.1 using
meta-GGA SCAN function. However, the same input file successfully converges
in Quantum Espresso 6.3. In Quantum Espresso 6.4.1, by using meta-GGA SCAN
function, SCF calculation give the following error:

c_bands:  1 eigenvalues not converged
c_bands:  3 eigenvalues not converged
c_bands:  2 eigenvalues not converged
c_bands:  4 eigenvalues not converged

I am using Quantum Espresso 6.3 and Quantum Espresso 6.4.1  on the same
machine compiled using similar make.inc file. My computer has AMD Ryzen
processor and I am not using Intel compiler and libraries. I have attached
a sample input file and output files from Quantum Espresso 6.3 and Quantum
Espresso 6.4.1

https://www.dropbox.com/sh/is3buyye8td107e/AACKBkQRv5vGjUGknzB6-Skba?dl=0

Thanks,

Shoaib Muhammad (Ph.D)

Department of Energy Science

Sungkyunkwan University

South Korea.
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