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Fixed parsing of EIGENVAL to accord with the new format
In recent version of VASP the output in EIGENVAL includes also Fermi weights. The parser in class 'Eigenval' has been modified accordingly.
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@ -431,6 +431,7 @@ class Eigenval:
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self.kpts = np.zeros((self.nktot, 3))
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self.kpts = np.zeros((self.nktot, 3))
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self.kwghts = np.zeros((self.nktot,))
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self.kwghts = np.zeros((self.nktot,))
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self.eigs = np.zeros((self.nktot, self.nband, self.ispin))
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self.eigs = np.zeros((self.nktot, self.nband, self.ispin))
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self.ferw = np.zeros((self.nktot, self.nband, self.ispin))
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for ik in xrange(self.nktot):
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for ik in xrange(self.nktot):
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sline = f.next() # Empty line
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sline = f.next() # Empty line
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@ -441,8 +442,9 @@ class Eigenval:
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for ib in xrange(self.nband):
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for ib in xrange(self.nband):
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sline = f.next().split()
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sline = f.next().split()
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tmp = map(float, sline[1:self.ispin+1])
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tmp = map(float, sline)
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self.eigs[ik, ib, :] = tmp[:]
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self.eigs[ik, ib, :] = tmp[1:self.ispin+1]
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self.ferw[ik, ib, :] = tmp[self.ispin+1:]
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################################################################################
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################################################################################
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