<div dir="ltr"><div><div>Dear wien2k users and Prof Blaha,<br> I am running the wien2k 13. I want to do my calculation by <span class="">mBJ</span> approximation but i find this error when i <span id="result_box" class="" lang="en"><span class="">throw the commande below :</span></span><br>
>> <span style="background-color:rgb(255,153,0)">run_lapw -i 80</span><br>hup: Command not found.<br> LAPW0 END<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>
in cycle 2 ETEST: 0 CTEST: 0<br>hup: Command not found.<br> LAPW0 END<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 3 ETEST: 0 CTEST: 0<br>
hup: Command not found.<br>EFG - Error<br><br>> stop error<br><br><br>lapw0.error
file:<br><br clear="all"><span style="background-color:rgb(246,178,107)">Error in LAPW0<br> 'EFG' - max order of QR-alghorithm exceeded.</span><br><br></div>Please help to resolve this problem and thank you in advance.<br>
<br></div>Cordially <br><div><div><br>-- <br><div dir="ltr"><font color="#ff0000" face="georgia, serif">Mourad BOUJNAH</font><div><font face="georgia, serif">PhD Student in </font><span style="font-family:georgia,serif">laboratory of magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in Rabat - Morocco</font></div><div><font face="georgia, serif">Tel:</font> <font color="#3366ff" face="tahoma, sans-serif"><u>+212 </u></font><font color="#3366ff" face="tahoma, sans-serif"><u>677316706</u></font></div>
<div><font face="georgia, serif">Email: <u><font color="#3366ff"><a href="mailto:boujnah.mourad@gmail.com" target="_blank">boujnah.mourad@gmail.com</a><br></font></u></font><i><span style="font-family:georgia,serif">"Research is to see what everybody else has seen, and to think what nobody else has thought"</span></i><br>
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