Commit 1208962b authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

back to dos in states/(J*cell)

parent ae6a31fb
......@@ -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":
......
......@@ -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):
......
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