Index of /output/ARCHIVE_Examples_SAVE/fevac10-15-1999-16:23:53:927

      Name                    Last modified       Size  Description


[DIR] Parent Directory        11-May-2008 19:14      -  
[TXT] AtomSphere.pro          15-Oct-1999 16:23     4k  
[TXT] Ffe-1.dat               15-Oct-1999 16:23    36k  
[TXT] WAVEreadme              15-Oct-1999 16:23     1k  
[TXT] crystal.crack           15-Oct-1999 16:23     1k  
[TXT] crystal.dat             15-Oct-1999 16:23     1k  
[TXT] crystal.def             15-Oct-1999 16:23     1k  
[TXT] crystal.gen             15-Oct-1999 16:23     1k  
[TXT] fevac.file_lst          15-Oct-1999 16:23     1k  
[TXT] fevac.out               15-Oct-1999 16:24     4k  
[   ] fevac.xyz               15-Oct-1999 16:24     1k  
[   ] fevac.xyz.wrl           15-Oct-1999 16:24     4k  
[TXT] ffe-1.dat               15-Oct-1999 16:23    54k  
[TXT] for021.dat              15-Oct-1999 16:23    59k  
[TXT] for022.dat              15-Oct-1999 16:23    59k  
[TXT] fral.dat                15-Oct-1999 16:23    51k  
[TXT] frni.dat                15-Oct-1999 16:23    55k  
[TXT] pal_m.dat               15-Oct-1999 16:23    74k  
[TXT] palni.dat               15-Oct-1999 16:23    71k  
[TXT] pfe-1.dat               15-Oct-1999 16:23    54k  
[TXT] pni_m.dat               15-Oct-1999 16:23    74k  
[   ] runvrml.pro             15-Oct-1999 16:23     1k  
[TXT] statics.f               15-Oct-1999 16:23   117k  
[TXT] statics.x               15-Oct-1999 16:23   216k  
[TXT] surface.dat             15-Oct-1999 16:24     0k  
[   ] surface.xyz             15-Oct-1999 16:24     1k  


  Simulation of a vacancy in a Fe crystal (Farkas/Kriz Sept98) 

  CODE:

  -static.f (modified newcrack.f)  is the fortran code.


  INPUT:(all files are needed)    

  - crystal.dat is the input data file
  - crystal.gen is the file with information to generate the
     lattice
  - crystal.crack  is the file with information for creating
     a crack  
  - crystal.def  is the file with information for creating 
     other defects.
  -There are  other 7 files containing the interatomic
     potential plus three new files (pfe-1.dat, ffe-1.dat
     and Ffe-1.dat) for iron. 

 OUTPUT:

  - fevac.out is the output files with all kinds of
     information but not coordinates.

  - fevac.xyz  is the  coordinate file, can be read by 
     WebLabViewer, Xmol, or Atomview in the CAVE

 TIME:

  This example of a crack in NiAl takes less than one minute 
     on the octane.