<html><body><div style="color:; background-color:; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yiv5095814556"><div id="yui_3_16_0_1_1429157642810_17130"><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;" id="yui_3_16_0_1_1429157642810_17129"><div id="yiv5095814556"><div id="yiv5095814556yui_3_16_0_1_1429157642810_15533"><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;" id="yiv5095814556yui_3_16_0_1_1429157642810_15532"><div class="yiv5095814556" style="" id="yiv5095814556yui_3_16_0_1_1429157642810_14704" dir="ltr"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14706">Dear wien2k users</span><tt style="font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14707">:</tt><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="" id="yiv5095814556yui_3_16_0_1_1429157642810_14705">I am a new Wien2k user . I am running version 13.1 on debian7.7.0 compiling with gfortran. The purpose of my calculations is to get the DOS of Fe2CrAl including the spin-orbit coupling.</span><span style="font-family: Arial; font-size: 14px; line-height: 23px;" class=""> </span><span style="font-family: Arial; font-size: 14px; line-height: 23px;" class="" id="yui_3_16_0_1_1429157642810_17520">I am following the user guide for this calculation.</span></div><div class="" style="" id="yiv5095814556yui_3_16_0_1_1429157642810_14704" dir="ltr"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br></span></div><div class="" style="" id="yiv5095814556yui_3_16_0_1_1429157642810_14704" dir="ltr"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14731">runsp_lapw</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14729">save_lapw case_nrel</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556">initso_lapw</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14730">runsp_lapw -so</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14746">There are the case.inso</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yui_3_16_0_1_1429157642810_17670">WFFIL</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14747"> 4 1 0 llmax,ipr,kpot </span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14742"> -10.0000 10.00000 emin,emax (output energy window)</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14743"> 1. 1. 1. direction of magnetization (lattice vectors)</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14744"> 2 number of atoms for which RLO is added</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yiv5095814556yui_3_16_0_1_1429157642810_14745"> 1 -4.97 0.0005 atom number,e-lo,de (case.in1), repeat NX times</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yui_3_16_0_1_1429157642810_17515"> 3 -4.97 0.0005 atom number,e-lo,de (case.in1), repeat NX times</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yui_3_16_0_1_1429157642810_17669"> 2 2,4 number of atoms for which SO is switch off; atoms</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yui_3_16_0_1_1429157642810_17518">But, it happens after I was running runsp_lapw -so . Checking the STDOUT I have the following:</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"></div><pre style="word-wrap:break-word;font-family:arial;font-size:14px;line-height:23px;" id="yiv5095814556yui_3_16_0_1_1429157642810_14643" class="yiv5095814556">hup: Command not found.
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW1 END
STOP LAPWSO END
STOP LAPW2 END
STOP LAPW2 END
STOP CORE END
STOP CORE END
At line 968 of file mixer.F (unit = 22, file = 'FeCrAlSi.scf')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE
> stop error</pre><div id="yui_3_16_0_1_1429157642810_17172"><span id="yiv5095814556result_box" class="yiv5095814556" lang="en" style="font-family:Arial;font-size:14px;line-height:23px;"><span class="yiv5095814556" style="" id="yui_3_16_0_1_1429157642810_17390">Have tried many methods, but those did not work. I</span> <span class="yiv5095814556" style="" id="yui_3_16_0_1_1429157642810_17389">do not</span> <span class="yiv5095814556" style="" id="yui_3_16_0_1_1429157642810_17171">know where was wrong and </span></span><span id="yiv5095814556result_box" class="yiv5095814556" lang="en" style="font-family:Arial;font-size:14px;line-height:23px;"><span class="yiv5095814556" style="" id="yui_3_16_0_1_1429157642810_17388">how should I do</span></span><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556" id="yui_3_16_0_1_1429157642810_17394">. Please help me, thanks!</span><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><br style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556"><span style="font-family:Arial;font-size:14px;line-height:23px;" class="yiv5095814556">Jiayi</span><br></div><div class="yiv5095814556" style="" id="yui_3_16_0_1_1429157642810_17387"><br class="yiv5095814556" style=""></div></div></div></div></div></div></div></div></body></html>