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Fixed the output of band indices to vasp.pgX
The band indices should be converted to Fortran convention, i.e. starting from 1, in the output files because the are used in the density matrix file which is read by a Fortran code.
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@ -310,7 +310,8 @@ def plo_output(conf_pars, el_struct, pshells, pgroups):
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f.write("# is = %i\n"%(isp + 1))
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for ik in xrange(nk):
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ib1, ib2 = pgroup.ib_win[ik, isp, 0], pgroup.ib_win[ik, isp, 1]
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f.write(" %i %i\n"%(ib1, ib2))
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# Output band indices in Fortran convention!
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f.write(" %i %i\n"%(ib1 + 1, ib2 + 1))
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for ib in xrange(ib1, ib2 + 1):
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eigv_ef = el_struct.eigvals[ik, ib, isp] - el_struct.efermi
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f_weight = el_struct.ferw[isp, ik, ib]
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