[Wien] thin films

[Antônio Vanbderlei dos Santos]

dear users
 I change the structure of the thin film and use the structure below, I
also find the following error.

film
P   LATTICE,NONEQUIV.ATOMS:  7
MODE OF CALC=RELA unit=ang
  6.614044  6.614044 39.684265 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ni1        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.08333333
          MULT= 1          ISPLIT=-2
Ni2        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.16666667
          MULT= 1          ISPLIT=-2
Ni3        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
N 4        NPT=  781  R0=0.00010000 RMT=    2.5000   Z:  7.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.33333333
          MULT= 1          ISPLIT=-2
Ni5        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.50000000 Z=0.41666667
          MULT= 1          ISPLIT=-2
Ni6        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Ni7        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 28.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   8      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
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0 1 0.00000000
       3
 0 1 0 0.00000000
-1 0 0 0.00000000
 0 0 1 0.00000000
       4
 0-1 0 0.00000000
 1 0 0 0.00000000
 0 0 1 0.00000000
       5
 0 1 0 0.00000000
 1 0 0 0.00000000
 0 0 1 0.00000000
       6
 1 0 0 0.00000000
 0-1 0 0.00000000
 0 0 1 0.00000000
       7
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       8
---------------------------------------------------------------------------
Calculating film in /home/vandao/WIEN2k/vandao/film
on Fisica-Host-Wien2K with PID 29713
using WIEN2k_10.1 (Release 7/6/2010) in /WIENROOT


    start 	(Tue Feb 14 15:55:04 BRST 2012) with lapw0 (400/99 to go)

    cycle 1 	(Tue Feb 14 15:55:04 BRST 2012) 	(400/99 to go)

>   lapw0 	(15:55:04) 14.9u 0.2s 0:15.31 99.3% 0+0k 0+6400io 0pf+0w
>   lapw1  -c -up    	(15:55:20) 453.3u 30.9s 1:53.34 427.2% 0+0k
0+364744io 0pf+0w
>   lapw1  -c -dn    	(15:57:13) 472.2u 32.2s 2:12.38 381.0% 0+0k
0+361968io 0pf+0w
>   lapw2 -c -up    	(15:59:26) 0.3u 0.0s 0:00.37 102.7% 0+0k 0+1160io 0pf+0w
error: command   /WIENROOT/lapw2c uplapw2.def   failed

>   stop error