diff --git a/python/converters/plovasp/plotools.py b/python/converters/plovasp/plotools.py index 718b6c0a..6b941f99 100644 --- a/python/converters/plovasp/plotools.py +++ b/python/converters/plovasp/plotools.py @@ -310,7 +310,8 @@ def plo_output(conf_pars, el_struct, pshells, pgroups): f.write("# is = %i\n"%(isp + 1)) for ik in xrange(nk): ib1, ib2 = pgroup.ib_win[ik, isp, 0], pgroup.ib_win[ik, isp, 1] - f.write(" %i %i\n"%(ib1, ib2)) +# Output band indices in Fortran convention! + f.write(" %i %i\n"%(ib1 + 1, ib2 + 1)) for ib in xrange(ib1, ib2 + 1): eigv_ef = el_struct.eigvals[ik, ib, isp] - el_struct.efermi f_weight = el_struct.ferw[isp, ik, ib]