[Pw_forum] Problem with tetrahedra method for calculations DOS
Yedu Kondalu
nykondalu at gmail.com
Thu Nov 2 18:11:06 CET 2017
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
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