Dear *Karim Elgammal,*
* Thank you for your reply. I am not switching from fixed to tetrahedra method, both the methods were used separately. I want to use tetrahedra method to calculate the DOS. When use the occupations=tetrahedra, I am getting the above specified error. * *Regards* *N. Yedukondalu* On Thu, Nov 2, 2017 at 10:41 PM, Yedu Kondalu <[email protected]> wrote: > 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 >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
