Good question, it is not explicitly stated in any manual. However, I'd guess that one should take that what is said in units.f90 is what is actually used:
! Define various unit conversion factors from internal units. ! internally, siesta works with length: Bohr. ! energy: Rydberg. ! time: femtosecond So I'd guess that the lengths should be the internal ones. I have just grepped the names of the constants that are stated in units, and I see no conversions. IMO this is another hint that the units are siesta's internal ones. Marcos On Fri, Oct 1, 2010 at 1:23 PM, Ian Shuttleworth <[email protected] > wrote: > Just a quick (I think) related question, to the MPR files: > > What are the units of "bond distance range" (an example below) in these > files? > > With thanks > > Ian Shuttleworth > > > Ti3d-O2s # Coop/Cohp for Ti(3d)-O(2s) > > Ti_3d > > 2.0 3.0 # Bond distance range in calculating COOP/COHP > > O_2s > > Ti3d-O2p # Coop/Cohp for Ti(3d)-O(2p) > > Ti_3d > > 2.0 3.0 # Bond distance range in calculating COOP/COHP > > O_2p > > The rest of the lines is pretty self-explanatory, I guess. Hope this > helps. > > Marcos >
