<div dir="ltr"><span style="font-family:arial,sans-serif;font-size:13px">Hello all wien2k users</span><div><span style="font-family:arial,sans-serif;font-size:13px"><br></span></div><div><span style="font-family:arial,sans-serif;font-size:13px"> </span><br>
<div><span style="font-family:arial,sans-serif;font-size:13px">I start to install wien2wannier it has installed without error, </span><span style="font-family:arial,sans-serif;font-size:13px">i follow the step in userguide but that give me the follow inf erro. P</span><span style="font-family:arial,sans-serif;font-size:13px">lease s</span><span style="font-size:13px;font-family:arial,sans-serif">ome one help me and thank you in advance.</span></div>
<div><span style="font-size:13px;font-family:arial,sans-serif"><br></span></div><div><span style="font-family:arial,sans-serif;font-size:13px">Mourad@linux-tfwb:~/WIEN2k/</span><span style="font-family:arial,sans-serif;font-size:13px">Mourad</span><span style="font-family:arial,sans-serif;font-size:13px">/cr> init_w2w</span><span style="font-family:arial,sans-serif;font-size:13px"> </span></div>
<div><span style="font-family:arial,sans-serif;font-size:13px">continue with wannier90.x or restart editing ksym(c/r)</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">r</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">next is ksym</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> set symmetry operations to 1(first has to be identity operation)</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:6894): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:6894): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">> kgen -so (14:38:19) 1 symmetry operations without inversion</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">250</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> length of reciprocal lattice vectors: 0.272 0.545 0.545 3.969 7.937 7.937</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 147 k-points generated, ndiv= 3 7 7</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">KGEN ENDS</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">0.000u 0.003s 0:15.35 0.0% 0+0k 0+240io 0pf+0w </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> check in cr.klist number of generated K-points </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">(emacs:6947): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle' </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">(emacs:6947): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle' </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> continue with find_bands or execute kgen again or exit (c/e/x) </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">c </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> found output from a previous lapw1 run </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> run find_bands (to identify Bloch bands of interest) or continue with write_w2win(r/c)? </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><span style="font-family:arial,sans-serif;font-size:13px"> </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">c</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> found old w2win file</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> use old file or rerun write_w2win(o/r)?</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">r</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> preparation of cr.w2win, input files for w2w:</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> do you want to enter lower and upper Bloch bands, number of Wannier</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">-----> functions, and the character of the initial projections, which will be</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> used later as initial values in wannier90 or manipulate a template(e/t)</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">t</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> check whether initial projections have the same character as the bands of interest</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:6971): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:6971): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> found old win file</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> use old file or rerun write_win(o/r)?</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">r</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">> write_win cr (14:40:18) ++ Preparing a non spin-polarized input file ++ </span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> WARNING: did not recognize unit specifier in struct file: </span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> >>> set units to default value bohr</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> debug 1</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> Found 16 elements</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> Found 16 atoms:</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 1:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 2:Cr, mult= 1,Z=24.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 3:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 4:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 5:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 6:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 7:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 8:Zn, mult= 1,Z=30.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 9:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 10:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 11:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 12:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 13:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 14:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> 15:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> 16:Te, mult= 1,Z=52.0</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px"> Found 147 k-points from LAPW computation</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px"> Write in: cr.win</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> in case of disentanglement: define frozen energy window if required</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:7020): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">(emacs:7020): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to register type 'OxygenStyle'</span><br style="font-family:arial,sans-serif;font-size:13px">
<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">-----> wannier90.x: wannier90.x computes kmesh...</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">> wannier90.x -pp cr (14:40:58) wannier90.x: Commande introuvable.</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">Mourad</span><span style="font-family:arial,sans-serif;font-size:13px">@linux-tfwb:~/WIEN2k/</span><span style="font-family:arial,sans-serif;font-size:13px">Mourad</span><span style="font-family:arial,sans-serif;font-size:13px">/cr> wannier90.xup cr</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">++Starting a spin-polarized calculation:up++</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">cp: impossible d'évaluer « cr.winup »: Aucun fichier ou dossier de ce type</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">cp: impossible d'évaluer « cr.amnup »: Aucun fichier ou dossier de ce type</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">cp: impossible d'évaluer « cr.mmnup »: Aucun fichier ou dossier de ce type</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-family:arial,sans-serif;font-size:13px">cp: impossible d'évaluer « cr.eigup »: Aucun fichier ou dossier de ce type</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">/home/Mourad/</span><span style="font-family:arial,sans-serif;font-size:13px">wien2wannier/util/wannier90.</span><span style="font-family:arial,sans-serif;font-size:13px">xup: line 16: wannier90.x : commande introuvable</span><br style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:13px;font-family:arial,sans-serif">Mourad</span><span style="font-size:13px;font-family:arial,sans-serif">@linux-tfwb:~/WIEN2k/</span><span style="font-size:13px;font-family:arial,sans-serif">Mourad</span><span style="font-size:13px;font-family:arial,sans-serif">/cr></span><br>
</div>-- <br><div dir="ltr"><font face="georgia, serif" color="#ff0000">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 face="tahoma, sans-serif" color="#3366ff"><u>+212 </u></font><font face="tahoma, sans-serif" color="#3366ff"><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></font></u></font></div></div>
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