fixed #827 where the energy was not updated

Signed-off-by: Nick Papior <nickpapior@gmail.com>

src/sisl/io/siesta/binaries.py

@@ -2158,17 +2158,6 @@ class _gfSileSiesta(SileBinSiesta):
 
  """
 
- def _setup(self, *args, **kwargs):
- """Simple setup that needs to be overwritten"""
- super()._setup(*args, **kwargs)
-
- # The unit convention used for energy-points
- # This is necessary until Siesta uses CODATA values
- if kwargs.get("version", "old").lower() in ("old", "4.1"):
- self._E_Ry2eV = 13.60580
- else:
- self._E_Ry2eV = _Ry2eV
-
  def _open_gf(self, mode, rewind=False):
  self._fortran_open(mode, rewind=rewind)
 
@@ -2407,7 +2396,7 @@ def read_header(self):
  self._no_u = no_u * 2
  else:
  self._no_u = no_u
- self._E = E * self._E_Ry2eV
+ self._E = E * _Ry2eV
  self._k = k.T
 
  return nspin, no_u, self._k, self._E
@@ -2626,7 +2615,7 @@ def write_header(self, bz, E, mu: float = 0.0, obj=None):
  mu * _eV2Ry,
  _toF(k.T, np.float64),
  w,
- self._E / self._E_Ry2eV,
+ self._E / _Ry2eV,
  **sizes,
  )
  self._fortran_check("write_header", "could not write header information.")
@@ -2649,7 +2638,7 @@ def write_hamiltonian(self, H, S=None):
  _siesta.write_gf_hs(
  self._iu,
  self._ik,
- self._E[self._iE] / self._E_Ry2eV,
+ self._E[self._iE] / _Ry2eV,
  _toF(H, np.complex128, _eV2Ry),
  _toF(S, np.complex128),
  no_u=no,
@@ -2677,7 +2666,7 @@ def write_self_energy(self, SE):
  self._iu,
  self._ik,
  self._iE,
- self._E[self._iE] / self._E_Ry2eV,
+ self._E[self._iE] / _Ry2eV,
  _toF(SE, np.complex128, _eV2Ry),
  no_u=no,
  )