From a5768a4d7adcfa852db389393e86d92b88176311 Mon Sep 17 00:00:00 2001 From: Unknown Date: Mon, 24 Jun 2019 17:21:34 +0200 Subject: [PATCH] fixed J reading --- src/qe/fileio.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/qe/fileio.jl b/src/qe/fileio.jl index cd55b8a7..d61da5d6 100644 --- a/src/qe/fileio.jl +++ b/src/qe/fileio.jl @@ -422,7 +422,7 @@ function qe_DFTU(speciesid::Int, parsed_flags::SymAnyDict) J0 = parsed_flags[:Hubbard_J0][speciesid] end if haskey(parsed_flags, :Hubbard_J) && length(parsed_flags[:Hubbard_J]) >= speciesid - J = Float64.(parsed_flags[:Hubbard_J][speciesid, :]) + J = Float64.(parsed_flags[:Hubbard_J][:, speciesid]) end if haskey(parsed_flags, :Hubbard_alpha) && length(parsed_flags[:Hubbard_alpha]) >= speciesid α = parsed_flags[:Hubbard_alpha][speciesid]