diff --git a/parser/parser-exciting/exciting_parser_dos.py b/parser/parser-exciting/exciting_parser_dos.py index 7b251a7a61ffaab9379d166db1a6ff596007dc9c..c45d33e56a01c0505daa372c8b904cb7ac20f3d3 100644 --- a/parser/parser-exciting/exciting_parser_dos.py +++ b/parser/parser-exciting/exciting_parser_dos.py @@ -54,11 +54,11 @@ class DosHandler(xml.sax.handler.ContentHandler): self.inDosProj = True elif name == "point": if self.inDos: - self.totDos.append(ha_per_joule*float(attrs.getValue('dos'))) + self.totDos.append(float(attrs.getValue('dos'))/ha_per_joule) # self.energy.append(float(attrs.getValue('e'))) self.energy.append(fromH(float(attrs.getValue('e')))) elif self.inDosProj: - self.dosProj.append(ha_per_joule*float(attrs.getValue('dos'))) + self.dosProj.append(float(attrs.getValue('dos'))/ha_per_joule) # self.energy.append(float(attrs.getValue('e'))) self.energy.append(fromH(float(attrs.getValue('e')))) elif name == "diagram": diff --git a/parser/parser-exciting/exciting_parser_gw.py b/parser/parser-exciting/exciting_parser_gw.py index 35795db552c13a6ffdda84a9d524dc9c012d91a7..7cfa3163f762803a65fe9601197861a48fef21ca 100644 --- a/parser/parser-exciting/exciting_parser_gw.py +++ b/parser/parser-exciting/exciting_parser_gw.py @@ -169,7 +169,7 @@ class GWParser(object): if not s: break s = s.strip() s = s.split() - ene, value = fromH(float(s[0])), ha_per_joule*float(s[1]) + ene, value = fromH(float(s[0])), float(s[1])/ha_per_joule dosEnergies.append(ene) if not self.spinTreat: for i in range(0,2): diff --git a/parser/parser-exciting/parser_exciting.py b/parser/parser-exciting/parser_exciting.py index 00246d71d4ca8df036a105d725dcbbb789611551..fbca349eb706ccfdc4ba4b556b91cf22b504a312 100644 --- a/parser/parser-exciting/parser_exciting.py +++ b/parser/parser-exciting/parser_exciting.py @@ -271,9 +271,8 @@ class ExcitingParserContext(object): smearing_internal_map = { "Gaussian": ['gaussian'], - "Methfessel-Paxton 1": ['methfessel-paxton'], - "Methfessel-Paxton 2": ['methfessel-paxton'], - "Fermi Dirac": ['fermi'], + "Methfessel-Paxton": ['methfessel-paxton'], + "Fermi-Dirac": ['fermi'], "Extended": ['tetrahedra'] }