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source/source_io/module_dm Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -281,14 +281,15 @@ void ModuleIO::write_dmk(const std::vector<std::vector<T>>& dmk,
281281 ofs << " " << nspin << " # number of spin directions" << std::endl;
282282 ofs << " " << ispin << " # this spin index" << std::endl;
283283 ofs << " " << efs[ispin] << " # Fermi energy in Ry " << std::endl;
284- ofs << " " << nlocal << " # number of localized basis " << std::endl;
285284 ofs << " " << kv.get_nkstot_full () << " # total k points " << std::endl;
286285 ofs << " " << kv.get_nkstot () << " # total k points after symmetrized (if open) " << std::endl;
287286 ofs << " " << kv.kvec_c [ik].x << " " << kv.kvec_c [ik].y << " " << kv.kvec_c [ik].z
288287 << " # k point coordinate (Cartesian) " << std::endl;
289288 ofs << " " << kv.kvec_d [ik].x << " " << kv.kvec_d [ik].y << " " << kv.kvec_d [ik].z
290289 << " # k point coordinate (direct) " << std::endl;
291290 ofs << " " << kv.wk [ik] << " # weight of this k point" << std::endl;
291+ ofs << " " << nlocal << " # number of localized basis " << std::endl;
292+ ofs << " " << nlocal << " " << nlocal << " # size of this matrix " << std::endl;
292293
293294 ofs << std::fixed;
294295 ofs << std::scientific;
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