diff --git a/parser/parser-exciting/exciting_parser_dos.py b/parser/parser-exciting/exciting_parser_dos.py index dab13d6018e2940206b5f7c3adc4ecc6f39bee4a..7b251a7a61ffaab9379d166db1a6ff596007dc9c 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*self.unitCellVol*float(attrs.getValue('dos'))) + self.totDos.append(ha_per_joule*float(attrs.getValue('dos'))) # self.energy.append(float(attrs.getValue('e'))) self.energy.append(fromH(float(attrs.getValue('e')))) elif self.inDosProj: - self.dosProj.append(ha_per_joule*self.unitCellVol*float(attrs.getValue('dos'))) + self.dosProj.append(ha_per_joule*float(attrs.getValue('dos'))) # 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 fba6d26b0e1fefce720fcbd968de10fa933b90fc..9f8425ac88d906b396b4bfade8ec3ad7b3042eb5 100644 --- a/parser/parser-exciting/exciting_parser_gw.py +++ b/parser/parser-exciting/exciting_parser_gw.py @@ -236,7 +236,7 @@ class GWParser(object): if not s: break s = s.strip() s = s.split() - ene, value = fromH(float(s[0])), ha_per_joule*self.unitCellVol*float(s[1]) + ene, value = fromH(float(s[0])), ha_per_joule*float(s[1]) dosEnergies.append(ene) if not self.spinTreat: for i in range(0,2):