[Pw_forum] Wannier90, question about units in seedname_hr.dat

Julen Ibanez Azpiroz jibanez008 at ikasle.ehu.es
Thu Sep 1 18:00:23 CEST 2011


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? I would really appreciate any kind of help, thanks
in advance,

-- 

========================================
 Julen Ibañez Azpiroz
 Materia Kondentsatuaren Fisika Saila
 Zientzia eta Teknologia Fakultatea
 Euskal Herriko Unibertsitatea
 644 Posta Kutxatila, 48080 Bilbo, Spain

 Telefonoa: +34 946015326
 Mail: jibanez008 at ikasle.ehu.es
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