[DFTB-Plus-User] Fe/H/C system

Debasis Sengupta dxs at cfdrc.com
Wed May 11 23:13:58 CEST 2011

I am trying to compute a system which has Fe, C, H. I am using the skf 
files in the trans3d. The code stop and apparently does not find the C-C 
.skf. I see there is no C-C, C-H and H-H skf files in this directory.  
The documentation says trans3d "Requires" mio.  Does it mean that I have 
to take the missing skf files from mio?

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