From 484dd478d33a53cdaba3a9339bf2a05c1ef130e4 Mon Sep 17 00:00:00 2001 From: Daniel Wortmann Date: Thu, 20 Sep 2018 12:15:46 +0200 Subject: [PATCH] Bugfix for HDF5 IO of eigenvalues/vectors --- io/eig66_hdf.F90 | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/io/eig66_hdf.F90 b/io/eig66_hdf.F90 index 6b03069d..c07583f8 100644 --- a/io/eig66_hdf.F90 +++ b/io/eig66_hdf.F90 @@ -115,9 +115,13 @@ CONTAINS CALL h5dcreate_f(d%fid, "neig", H5T_NATIVE_INTEGER, spaceid, d%neigsetid, hdferr) CALL h5sclose_f(spaceid,hdferr) ! ew + dims(:3)=(/neig,nkpts,jspins/) + CALL h5screate_simple_f(3,dims(:3),spaceid,hdferr) CALL h5dcreate_f(d%fid, "energy", H5T_NATIVE_DOUBLE, spaceid, d%energysetid, hdferr) CALL h5sclose_f(spaceid,hdferr) ! w_iks + dims(:3)=(/neig,nkpts,jspins/) + CALL h5screate_simple_f(3,dims(:3),spaceid,hdferr) CALL h5dcreate_f(d%fid, "w_iks", H5T_NATIVE_DOUBLE, spaceid, d%wikssetid, hdferr) CALL h5sclose_f(spaceid,hdferr) ! ev -- GitLab