Your case.in1 file is not correct.
The error occurs when it tries to read EF in the second line of case.in1
in columns 11-26.
Make sure that in this range a valid EF is given, but not some text.
Am 28.04.2019 um 01:10 schrieb nader:
Dear Prof. Blaha,
I am able to do the scf and DOS and band-structure
calculations correctly butmy NMR calculations using "x_nmr_lapw -mode in1"
kept giving me the following error :
" EXECUTING: /home/nader/Downloads/Wien2k/nmr -case test2 -mode in1 -nodes
8 -green -ovlpmax 0.4
forrtl: severe (59): list-directed I/O syntax error, unit -5, file Internal
List-Directed Read
Image PC Routine Line Source
nmr 00000000004AF513 Unknown Unknown Unknown
nmr 00000000004D9B6A Unknown Unknown Unknown
nmr 00000000004D80EB Unknown Unknown Unknown
nmr 0000000000466B74 make_in1_ 37 make_in1.f
nmr 0000000000410573 MAIN__ 19 nmr.f
nmr 000000000040326E Unknown Unknown Unknown
libc-2.23.so 000014A189266830 __libc_start_main Unknown Unknown
nmr 0000000000403169 Unknown Unknown Unknown
stop error"
I am facing this error even for simple "TiC" example detailed in the user
guide. I searched through the website, I might have missed it, but I couldn't find any
solution to this problem.
I appreciate if you can help me any hint to resolve this problem.
Thank you,
Nader Ghassemi,
Physics and Astronomy Department,
Texas A&M University.
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--
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
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