Thank you for the feedback, Paolo. Can you suggest any way of fixing this? On Tue, Oct 13, 2020 at 3:10 PM Paolo Giannozzi <p.gianno...@gmail.com> wrote:
> If you look at the value of \epsilon you will notice a very large value > (likely a consequence of the smallness of the gap of InAs). In the force > constant file, this appears as **** > > Paolo > > On Mon, Oct 12, 2020 at 3:53 PM Sheikh Ziauddin Ahmed <sza...@virginia.edu> > wrote: > >> 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* <sza...@virginia.edu> >> LinkedIn: https://www.linkedin.com/in/sheikh-ziauddin-ahmed >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- *Sheikh Ziauddin Ahmed * PhD Candidate Charles L. Brown Department of Electrical and Computer Engineering University of Virginia Email:sza9wz*@virginia.edu* <sza...@virginia.edu> LinkedIn: https://www.linkedin.com/in/sheikh-ziauddin-ahmed
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