Commit 4cd9cdcc authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

fixed small bug in dos

parent 931ab52b
......@@ -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":
......
......@@ -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):
......
......@@ -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']
}
......
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