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<p style="margin-bottom:0in;line-height:100%">Dear WIEN2k mailing
list,</p>
<p style="margin-bottom:0in;line-height:100%"><br>

</p>
<p style="margin-bottom:0in;line-height:100%">While computing
atomic energies using a large fcc cell (→ <a href="http://www.wien2k.at/reg_user/faq/cohesive_energies.html">http://www.wien2k.at/reg_user/faq/cohesive_energies.html</a>)
with WIEN2k 21, I have encountered  the following during the execution of the nn program:  
</p>
<p style="margin-bottom:0in;line-height:100%">------------------------------------------------------------------------------------------------------------------------</p>
<p style="margin-bottom:0in;line-height:100%">Program received
signal SIGSEGV: Segmentation fault - invalid memory reference.</p>
<p style="margin-bottom:0in;line-height:100%"><br>

</p>
<p style="margin-bottom:0in;line-height:100%">Backtrace for this
error:</p>
<p style="margin-bottom:0in;line-height:100%">#0  0x15425d0e132a</p>
<p style="margin-bottom:0in;line-height:100%">#1  0x15425d0e0503</p>
<p style="margin-bottom:0in;line-height:100%">#2  0x15425c97603f</p>
<p style="margin-bottom:0in;line-height:100%">#3  0x15425d2627f8</p>
<p style="margin-bottom:0in;line-height:100%">#4  0x15425d263bca</p>
<p style="margin-bottom:0in;line-height:100%">#5  0x15425d25b07c</p>
<p style="margin-bottom:0in;line-height:100%">#6  0x15425d25b6dc</p>
<p style="margin-bottom:0in;line-height:100%">#7  0x55d75388641a</p>
<p style="margin-bottom:0in;line-height:100%">#8  0x55d753881fbe</p>
<p style="margin-bottom:0in;line-height:100%">#9  0x15425c958bf6</p>
<p style="margin-bottom:0in;line-height:100%">#10  0x55d753881fe9</p>
<p style="margin-bottom:0in;line-height:100%">#11 
0xffffffffffffffff</p>
<p style="margin-bottom:0in;line-height:100%">Segmentation fault
(core dumped)</p>
<p style="margin-bottom:0in;line-height:100%">0.019u 0.000s
0:03.11 0.3%    0+0k 0+24io 0pf+0w</p>
<p style="margin-bottom:0in;line-height:100%">error: command  
/home/WIEN2k/nn nn.def   failed</p>
<p style="margin-bottom:0in;line-height:100%"> 
</p>
<p style="margin-bottom:0in;line-height:100%"> stop error 
</p>
<p style="margin-bottom:0in;border-top:none;border-bottom:1px solid rgb(0,0,0);border-left:none;border-right:none;padding:0in 0in 0.03in;line-height:100%">
<br>

</p>
<p style="margin-bottom:0in;line-height:100%">This only happens for cell parameters greater than 15.5 Bohr (or NN-DIST <u>></u> 11 Bohrs). Replacing the current nn program with an older version solves the
problem for me. Is there a bug in the recent version of nn?<br></p>
<p style="margin-bottom:0in;line-height:100%"><br>

</p>
<p style="margin-bottom:0in;line-height:100%">Best Regards,</p>
<p style="margin-bottom:0in;line-height:100%"><br>

</p>
<p style="margin-bottom:0in;line-height:100%">Alay-e-Abbas  </p></div>