[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