[Wien] Crystal structure that XCrySDen cannot visualize

[Lyudmila Dobysheva]

08.03.2016 22:19, delamora wrote:
> that there is a problem, but what I see is that it is with XCrySDen and
> not with WIEN2k.
>     Well, this structure cannot be visualized with XCrySDen
>     Structure that cannot be visualized
>     more GdO-H2-C.struct

Dear Pablo,

I have taken your struct file and it passed well through my Xcrysden 
(see in attachments), so cannot see your problem.

By the way, I'd say this is not
 > Gd and H2O
but an oxide of Gd with H2 molecules.

Best wishes
   Lyudmila Dobysheva
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Title                                                       
CXZ LATTICE,NONEQUIV.ATOMS:  3 8 Cm
MODE OF CALC=RELA unit=ang 
  7.558908 12.100156 13.092413 90.000000 90.000000128.659811
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Gd1        NPT=  781  R0=0.00001000 RMT=    1.9600   Z: 64.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.60000000 Y=0.60000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O 1        NPT=  781  R0=0.00010000 RMT=    1.6100   Z:  8.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   3: X=0.54700000 Y=0.40000000 Z=0.44700000
          MULT= 2          ISPLIT= 8
       3: X=0.54700000 Y=0.40000000 Z=0.55300000
H 1        NPT=  781  R0=0.00010000 RMT=    0.6600   Z:  1.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   2      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       1
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0-1 0.00000000
       2
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