[Wannier] Wannier90, question about units in seedname_hr.dat
Jonathan Yates
jonathan.yates at materials.ox.ac.uk
Sun Sep 4 01:02:09 CEST 2011
On 3 Sep 2011, at 10:57, Julen Ibanez Azpiroz wrote:
> Dear Wannier90 users,
>
> In output file 'seedname_hr.dat' the program W90 stores the Hamiltonian matrix elements in WF basis, in a format that is nicely explained in the W90 Users Guide. However, I could not find the units in which the matrix elements are stored. The dimension, if I am not very wrong, should be Energy (shouldnt?!). I see that most energy-units in W90 are in eV, but I am not sure if this is so in all cases, does anybody know if W90 uses eV energy-units as default?
Yes, the energy unit in W90 is always eV.
There are some notes on units at the start of Chapter 8 of the user guide (p. 59)
Yours
Jonathan
--
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
tel: +44 (0)1865 612797 http://users.ox.ac.uk/~oums0549/
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