[Wien] (no subject)
    Karima Karim 
    karimaphy at yahoo.fr
       
    Thu Jun  5 00:24:39 CEST 2014
    
    
  
Dear wien2k
I 'am doing calculation of supercell ,I think that this error
At line 130 of file supercell.f (unit = 5, file = 'stdin')
Fortran runtime error: End of file Program generates supercell from a WIEN struct file. Filename of struct file:  Number of cells in x direction:  Number of cells in y direction:  Number of cells in z direction:  Optional shift all atoms by the same amount (fractional coordinates).  Please enter x shift:  Please enter y shift:  Please enter z shift:  Current structure has lattice type F    Enter your target lattice type: (P,B,F) Target lattice type will be P    Add vacuum in x-direction for surface-slab [bohr]: Add vacuum in y-direction for surface-slab [bohr]: Add vacuum in y-direction for surface-slab [bohr]: Add vacuum in y-direction for surface-slab [bohr]: Add vacuum in y-direction for surface-slab [bohr]:
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command   /home/karim/Desktop/wien2k-11/supercell supercell.def 
failed
what this problem please 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140604/ca9ce1e3/attachment.htm>
    
    
More information about the Wien
mailing list