[Wien] Error with NMR calculation

[karima Physique]

Sorry but I work on a material of which it is diamagnetic and this is
already verified experimentally so I want an answer to my question

2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <fecher at uni-mainz.de>:

> just a question, why do you expect a metal to be a diamagnetic material ?
>
>
> please check your input files whether or not they are correct
>
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> and
> Max Planck Institute for Chemical Physics of Solids
> 01187 Dresden
> ________________________________________
> Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von karima
> Physique [physique.karima at gmail.com]
> Gesendet: Montag, 15. Mai 2017 00:31
> An: A Mailing list for WIEN2k users
> Betreff: [Wien] Error with NMR calculation
>
> I launched the following commands :
> run_lapw
> x_nmr -mode in1
> x_nmr -metal
>
> for NMR calculation of a diamagnetic material (metal)
>
>
> And I got the following error;
>
>   EXECUTING:     /home/Work/Wien2k/nmrc -case Dia -mode current    -green
>        -scratch ./       -noco    -metal
>
> forrtl: severe (64): input conversion error, unit -5, file Internal
> List-Directed Read
> Image              PC                Routine            Line        Source
> nmrc               000000000050A8D6  Unknown               Unknown  Unknown
> nmrc               0000000000534B7A  Unknown               Unknown  Unknown
> nmrc               00000000005330FB  Unknown               Unknown  Unknown
> nmrc               00000000004F831F  find_efer_1_               25
> find_efer_tmp_.F
> nmrc               000000000041C811  init_nmr_                 249
> init_nmr.f
> nmrc               00000000004194CA  MAIN__                     11  nmr.f
> nmrc               0000000000404DDE  Unknown               Unknown  Unknown
> libc-2.17.so<http://libc-2.17.so>       00002B9853511A15
> __libc_start_main     Unknown  Unknown
> nmrc               0000000000404CE9  Unknown               Unknown  Unknown
>
> stop error
>
>
> How to correct this error
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