[QE-users] error while calculating InAs phonon dispersion with QE 6.5

Sheikh Ziauddin Ahmed sza9wz at virginia.edu
Mon Oct 12 15:52:27 CEST 2020


Hello

I have been trying to calculate the InAs phonon dispersion using version
6.5 but I am getting the following error while running matdyn.x:

forrtl: severe (59): list-directed I/O syntax error, unit 1, file
/scratch/07250/sza9wz/III_V/InAs/phon2/InAs-6.fc
Image              PC                Routine            Line        Source
matdyn.x           0000000004AE4253  Unknown               Unknown  Unknown
matdyn.x           0000000004B21DDC  Unknown               Unknown  Unknown
matdyn.x           0000000004B1FFC6  Unknown               Unknown  Unknown
matdyn.x           000000000043206F  Unknown               Unknown  Unknown
matdyn.x           000000000041209B  Unknown               Unknown  Unknown
matdyn.x           000000000040733E  Unknown               Unknown  Unknown
libc-2.17.so       00002B85A8CE43D5  __libc_start_main     Unknown  Unknown
matdyn.x           0000000000407229  Unknown               Unknown  Unknown
Error reading file header
forrtl: severe (59): list-directed I/O syntax error, unit 1, file
/scratch/07250/sza9wz/III_V/InAs/phon2/InAs-6.fc
Image              PC                Routine            Line        Source
matdyn.x           0000000004AE4253  Unknown               Unknown  Unknown
matdyn.x           0000000004B21DDC  Unknown               Unknown  Unknown
matdyn.x           0000000004B1FFC6  Unknown               Unknown  Unknown
matdyn.x           000000000043206F  Unknown               Unknown  Unknown
matdyn.x           000000000041209B  Unknown               Unknown  Unknown
matdyn.x           000000000040733E  Unknown               Unknown  Unknown
libc-2.17.so       00002B3D0A84E3D5  __libc_start_main     Unknown  Unknown
matdyn.x           0000000000407229  Unknown               Unknown  Unknown


I am using the same input files for other materials and those are working
just fine. I am not sure what is causing the error for InAs.

I am attaching the input files as well.

Regards,
Sheikh

-- 
*Sheikh Ziauddin Ahmed *
PhD Candidate
Charles L. Brown Department of Electrical and Computer Engineering
University of Virginia
Email:sza9wz*@virginia.edu* <sza9wz at virginia.edu>
LinkedIn: https://www.linkedin.com/in/sheikh-ziauddin-ahmed
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