<div dir="ltr">Sorry but <span class="gmail-" id="gmail-result_box" lang="en"><span class="gmail-">I work on a material of which it is diamagnetic and this is already verified experimentally so I want an answer to my question</span></span></div><div class="gmail_extra"><br><div class="gmail_quote">2017-05-15 8:57 GMT+02:00 Fecher, Gerhard <span dir="ltr"><<a href="mailto:fecher@uni-mainz.de" target="_blank">fecher@uni-mainz.de</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">just a question, why do you expect a metal to be a diamagnetic material ?<br>
<br>
<br>
please check your input files whether or not they are correct<br>
<br>
<br>
Ciao<br>
Gerhard<br>
<br>
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:<br>
"I think the problem, to be quite honest with you,<br>
is that you have never actually known what the question is."<br>
<br>
==============================<wbr>======<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
and<br>
Max Planck Institute for Chemical Physics of Solids<br>
01187 Dresden<br>
______________________________<wbr>__________<br>
Von: Wien [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.<wbr>tuwien.ac.at</a>] im Auftrag von karima Physique [<a href="mailto:physique.karima@gmail.com">physique.karima@gmail.com</a>]<br>
Gesendet: Montag, 15. Mai 2017 00:31<br>
An: A Mailing list for WIEN2k users<br>
Betreff: [Wien] Error with NMR calculation<br>
<span class=""><br>
I launched the following commands :<br>
run_lapw<br>
x_nmr -mode in1<br>
x_nmr -metal<br>
<br>
for NMR calculation of a diamagnetic material (metal)<br>
<br>
<br>
And I got the following error;<br>
<br>
EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current -green -scratch ./ -noco -metal<br>
<br>
forrtl: severe (64): input conversion error, unit -5, file Internal List-Directed Read<br>
Image PC Routine Line Source<br>
nmrc 000000000050A8D6 Unknown Unknown Unknown<br>
nmrc 0000000000534B7A Unknown Unknown Unknown<br>
nmrc 00000000005330FB Unknown Unknown Unknown<br>
nmrc 00000000004F831F find_efer_1_ 25 find_efer_tmp_.F<br>
nmrc 000000000041C811 init_nmr_ 249 init_nmr.f<br>
nmrc 00000000004194CA MAIN__ 11 nmr.f<br>
nmrc 0000000000404DDE Unknown Unknown Unknown<br>
</span><a href="http://libc-2.17.so" rel="noreferrer" target="_blank">libc-2.17.so</a><<a href="http://libc-2.17.so" rel="noreferrer" target="_blank">http://libc-2.17.<wbr>so</a>> 00002B9853511A15 __libc_start_main Unknown Unknown<br>
<span class="">nmrc 0000000000404CE9 Unknown Unknown Unknown<br>
<br>
stop error<br>
<br>
<br>
How to correct this error<br>
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</blockquote></div><br></div>