Dear Prof. Blaha and Wien2k users, I want to do NMR calculation on CoFe alloy so that I have made following steps one by one:
1) run scf calculations (completed) 2) *x_nmr in which following steps have completed* i) x_nmr -mode in1 (completed) ii) x_nmr -mode lapw1 (completed) iii) x_nmr -mode lapw2 (completed) iv) x_nmr -mode lcore (completed) *But I got the error in fifth command "x_nmr -mode current" which is as below:* EXECUTING: /home/arvind/Wien2K/nmr -case CoFe -mode current -green -scratch ./ -noco forrtl: severe (24): end-of-file during read, unit 11, file /home/arvind/WIEN2k/CoFe/nmr_q0/nmr_q0.vector Image PC Routine Line Source nmr 00000000004C3E8E Unknown Unknown Unknown nmr 00000000004EED05 Unknown Unknown Unknown nmr 000000000042FF4C get_nlo_ 18 get_nlo.f nmr 000000000044B003 make_current_ 21 make_current_tmp_.F nmr 0000000000412A26 MAIN__ 28 nmr.f nmr 000000000040367E Unknown Unknown Unknown libc-2.26.so 0000149B0FF4C1C1 __libc_start_main Unknown Unknown nmr 000000000040356A Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source nmr 00000000004CD97D Unknown Unknown Unknown libpthread-2.26.s 0000149B10C31150 Unknown Unknown Unknown libiomp5.so 0000149B105A8184 Unknown Unknown Unknown ld-2.26.so 0000149B15D44238 Unknown Unknown Unknown libc-2.26.so 0000149B0FF66EC0 Unknown Unknown Unknown libc-2.26.so 0000149B0FF66F1A Unknown Unknown Unknown nmr 00000000004C503C Unknown Unknown Unknown nmr 00000000004C3E8E Unknown Unknown Unknown nmr 00000000004EED05 Unknown Unknown Unknown nmr 000000000042FF4C get_nlo_ 18 get_nlo.f nmr 000000000044B003 make_current_ 21 make_current_tmp_.F nmr 0000000000412A26 MAIN__ 28 nmr.f nmr 000000000040367E Unknown Unknown Unknown libc-2.26.so 0000149B0FF4C1C1 __libc_start_main Unknown Unknown nmr 000000000040356A Unknown Unknown Unknown stop error arvind@arvind-HP-Laptop-15-bs0xx:~/WIEN2k/CoFe$ I am running these calculation by Wien2k 17.1 version compiled in HP laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+ cc compiler. Please suggest me accordingly. Thansk & Regards, -- Dr. Arvind Kumar Assistant Professor Department of Physics Atma Ram Sanatan Dharma College (University of Delhi) Dhaula Kuan, New Delhi-110021
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