Dear Users and Experts,
I am using QE v.6.1. I ran DOS calculation for Silicon using
Occupations='fixed' in 'scf' and 'nscf' calculations and it was finished
successfully and dos output file is created. However, when I used
occupations='tetrahedra' in nscf (both scf and nscf), the dos.x calculation
was terminated with the following error (I have tried for couple of
systems apart from Si). Now, my question is how to use
occupations='tetrahedra' in scf and nscf calculations to compute the DOS
for any system. Input files are attached.forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source dos.x 0000000000687DBD qexml_module_mp_q 3753 qexml.f90 dos.x 00000000005270DD pw_restart_mp_rea 2101 pw_restart.f90 dos.x 00000000005239EC pw_restart_mp_pw_ 1057 pw_restart.f90 dos.x 0000000000408A7B read_xml_file_ 98 read_file.f90 dos.x 000000000040432B MAIN__ 95 dos.f90 dos.x 000000000040422C Unknown Unknown Unknown libc.so.6 00002AF83A1E9EC5 Unknown Unknown Unknown dos.x 0000000000404129 Unknown Unknown Unknown Thank you, Regards N. Yedukondalu, IICT, Hyderabad
Si.dos.in
Description: Binary data
Si.nscf.in
Description: Binary data
Si.scf.in
Description: Binary data
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