[Pw_forum] Problem during phonon calculation of bcc iron ferrite
Krishnendu Mukherjee
krishnendu.mukherjee789 at gmail.com
Tue Dec 26 10:20:53 CET 2017
Dear Experts,
Finally I am able to edit the qe-6.2-examples/PHonon/examples/example02
run_example file to calculate the fe.dispersions and fe.phdos. I have
included the edited file.
When I changed the pseudo-potential file from Fe.pz-nd-rrkjus.UPF to
Fe.pbe-spn-rrkjus_psl.0.2.1.UPF, I got an error====
transforming C(q) => C(R)...At line 116 of file io_dyn_mat_old.f90 (unit =
1, file = 'fe.dyn2')
Fortran runtime error: End of file
I have included the output of the code in the file called error.
Please help me to solve the problem,
Thanking you,
Best regards,
Krishnendu
--
Dr. Krishnendu Mukherjee,
Principal Scientist,
CSIR-NML,
Jamshedpur.
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