Dear All, I am attempting to process the Density of States for a spin polarised BaFeO3 system. I have successfully calculated the DOS for the nonMagnetic structure, however, after a few minutes I get the below error when I reach the dos.x <input> output stage and nothing is written to the output file.
Please find attached my DOS input file, and the nscf output from the nscf calc. Any advice would be much appreciated. Thank you for your support Regards Zarah Baiyee PhD Student, The Hong Kong University of Science and Technology Clear Water Bay Kowloon, Hong Kong Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x10a7f570d #1 0x10a7f5c1b #2 0x7fff896285a9 #3 0x7fff88191e51 #4 0x7fff8816edb5 #5 0x10966128b #6 0x1094f412e #7 0x1094f4818 #8 0x1095378c6 #9 0x109537cb5 #10 0x1094257b1 #11 0x1097f056e Segmentation fault: 11 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140314/3818c381/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: BaFeO3_M_0.2_DOS_s.in Type: application/octet-stream Size: 1124 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140314/3818c381/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: BaFeO3_M_0.2_nscf_s2.out Type: application/octet-stream Size: 30771 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140314/3818c381/attachment-0001.obj
