Re: [SIESTA-L] Severe Error

[Edan Scriven]

I'm guessing the problem lies in your  
AtomicCoordinatesAndAtomicSpecies block. Try removing the last two  
things in each line, i.e.

instead of
   58.594000   47.254000    0.793000   3 N      1

use
   58.594000   47.254000    0.793000   3



Edan.

On 30/05/2009, at 7:45 AM, Eric Perim wrote:
<snipped>