yambo-code / yambo

This is the official GPL repository of the yambo code
http://www.yambo-code.eu/
GNU General Public License v2.0
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ypp -s dos crashes #18

Closed mpalummo closed 5 years ago

mpalummo commented 5 years ago

for MoS2 with SOC (large 4x4 cell)

doing dos calculation using Version 4.4.0 Revision 16643 Hash c3f6efece it crashes saying "segmentation fault" inside the loop do i_E=1,DOS_E_steps call el_density_of_states(k,E,dos_E(i_E),DOS_broadening,bands,el_dos(i_E,:), & ! standard & USE_the_DbGd=USE_the_DbGd,USE_occupations=USE_occ,& ! optionals & WF_fac=WF_fac,PDOS_fac=PDOS_fac) ! optional pointers

doing the same calculation with devel_excitonlifetimes Version 4.4.0 Revision 16059 Hash 6e74a144f, it does not crash