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Commit 6b4b3153 authored by Alessandro Mirone's avatar Alessandro Mirone
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tried to fix abinit eigenvectors phase

parent dcba5bd9
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......@@ -766,7 +766,6 @@ def ReadCastep(filename, filename_extra=None,
for idegree in range(0,NofBranches,3):
items=map(string.atof,string.split(sl[linecount])[-3:])
eigenvectors[iwave,imode, idegree:idegree+3].real=numpy.array(items )* math.sqrt(atomMasses[ idegree/3 ])
linecount+=1
items=map(string.atof,string.split(sl[linecount])[-3:])
eigenvectors[iwave,imode, idegree:idegree+3].imag=numpy.array(items) * math.sqrt(atomMasses[ idegree/3 ])
......@@ -861,7 +860,7 @@ def ReadCastep(filename, filename_extra=None,
assert( len(qs) == len (eigenvectors) )
for i in range(len(qs)):
if tipo in ["Vasp","phonopy"] :
if tipo in ["Vasp","phonopy","Abinit",] :
q=qs[i]
facts = numpy.tensordot( q , res.atomAbsolutePositions , axes= [(0),(1)])
facts=(numpy.exp(+1.0j*facts)).astype( numpy.complex64 )
......
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