[Wien] The Wien2wannier

[mourad boujnah]

Hello all wien2k users


I start to install wien2wannier it has installed without error, i follow
the step in userguide but that give me the follow inf erro. Please some one
help me and thank you in advance.

Mourad at linux-tfwb:~/WIEN2k/Mourad/cr> init_w2w
continue with  wannier90.x or restart editing ksym(c/r)
r
next is ksym
-----> set symmetry operations to 1(first has to be identity operation)

(emacs:6894): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'


(emacs:6894): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'

>   kgen -so    (14:38:19)            1  symmetry operations without
inversion
  NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
250
 length of reciprocal lattice vectors:   0.272   0.545   0.545   3.969
7.937   7.937
  Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)
0
         147  k-points generated, ndiv=           3           7           7
KGEN ENDS
0.000u 0.003s 0:15.35 0.0%      0+0k 0+240io 0pf+0w

-----> check in  cr.klist  number of generated
K-points




(emacs:6947): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'







(emacs:6947): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
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-----> continue with find_bands or execute kgen again or exit
(c/e/x)

c


-----> found output from a previous lapw1 run


-----> run find_bands (to identify Bloch bands of interest) or continue
with write_w2win(r/c)?

c
-----> found old w2win file
-----> use old file or rerun write_w2win(o/r)?
r
-----> preparation of cr.w2win, input files for w2w:
-----> do you want to enter lower and upper Bloch bands, number of Wannier
-----> functions, and the character of the initial projections, which will
be
-----> used later as initial values in wannier90 or manipulate a
template(e/t)
t
-----> check whether initial projections have the same character as the
bands of interest

(emacs:6971): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'


(emacs:6971): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'

-----> found old win file
-----> use old file or rerun write_win(o/r)?
r
>   write_win cr        (14:40:18)  ++ Preparing a non spin-polarized input
file ++
 WARNING: did not recognize unit specifier in struct file:
 >>> set units to default value bohr
 debug           1
 Found           16  elements
 Found           16  atoms:
      1:Zn, mult= 1,Z=30.0
      2:Cr, mult= 1,Z=24.0
      3:Zn, mult= 1,Z=30.0
      4:Zn, mult= 1,Z=30.0
      5:Zn, mult= 1,Z=30.0
      6:Zn, mult= 1,Z=30.0
      7:Zn, mult= 1,Z=30.0
      8:Zn, mult= 1,Z=30.0
      9:Te, mult= 1,Z=52.0
     10:Te, mult= 1,Z=52.0
     11:Te, mult= 1,Z=52.0
     12:Te, mult= 1,Z=52.0
     13:Te, mult= 1,Z=52.0
     14:Te, mult= 1,Z=52.0
     15:Te, mult= 1,Z=52.0
     16:Te, mult= 1,Z=52.0
 Found          147  k-points from LAPW computation
 Write in: cr.win
-----> in case of disentanglement: define frozen energy window if required

(emacs:7020): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'


(emacs:7020): GLib-GObject-WARNING **: plugin 'oxygen-gtk' failed to
register type 'OxygenStyle'

-----> wannier90.x: wannier90.x computes kmesh...
>   wannier90.x -pp cr  (14:40:58) wannier90.x: Commande introuvable.
Mourad at linux-tfwb:~/WIEN2k/Mourad/cr> wannier90.xup cr
++Starting a spin-polarized calculation:up++
cp: impossible d'évaluer « cr.winup »: Aucun fichier ou dossier de ce type
cp: impossible d'évaluer « cr.amnup »: Aucun fichier ou dossier de ce type
cp: impossible d'évaluer « cr.mmnup »: Aucun fichier ou dossier de ce type
cp: impossible d'évaluer « cr.eigup »: Aucun fichier ou dossier de ce type
/home/Mourad/wien2wannier/util/wannier90.xup: line 16: wannier90.x :
commande introuvable
Mourad at linux-tfwb:~/WIEN2k/Mourad/cr>
-- 
Mourad BOUJNAH
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Tel: *+212 **677316706*
Email: *boujnah.mourad at gmail.com*
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