From 4abd04bbee46b50e1f0f79baada5884e7641359f Mon Sep 17 00:00:00 2001 From: Priyanka Seth Date: Tue, 10 Feb 2015 16:27:12 +0100 Subject: [PATCH] Modified doc and hk_convert test --- doc/reference/h5structure.rst | 4 ++-- test/hk_convert.output.h5 | Bin 36536 -> 36536 bytes test/hk_convert_hamiltonian.hk | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/doc/reference/h5structure.rst b/doc/reference/h5structure.rst index 76ff3a04..982edf75 100644 --- a/doc/reference/h5structure.rst +++ b/doc/reference/h5structure.rst @@ -23,9 +23,9 @@ In order to be used with the DMFT routines, the following data needs to be provi * `SO`, numpy.int. 1 if spin-orbit interaction is included, 0 otherwise. - * `charge_below`, numpy.float. The number of electrons in the crystal below the correlated orbitals. + * `charge_below`, numpy.float. The number of electrons in the crystal below the correlated orbitals. Note that this is for compatibility with dmftproj. - * `density_required`, numpy.float. Required total electron density, important for the determination of the chemical potential. The density of the correlated electrons is then `density_required`-`charge_below`. + * `density_required`, numpy.float. Required total electron density, important for the determination of the chemical potential. The density within the projection window is then `density_required`-`charge_below`. * `symm_op`, numpy.int. 1 if symmetry operations are used for the BZ sums, 0 if all k-points are directly included in the input. diff --git a/test/hk_convert.output.h5 b/test/hk_convert.output.h5 index 6f288a7f5b6bcb354736779d82f8efd08155051c..e9b58388de443ef458f16801adc0c9fc7d368755 100644 GIT binary patch delta 420 zcmdlnmubgbrVUHj*%K9Rg)lI5Ox)Nz*@B~B@&^u%$u~Fz7#Su%tb(RBc9=~!Z z6NoWcUg-7YAT=d8J4qeFo^QTzvxbHaSU*tF%*`J(McBcr?4{;!US_xrVsgAO)Z}~< zD5KsK%IG(PGUl6~g(%LqgsHLm%K~;ry}d0fn6clb6wH{s-(}_I2VPgeuAB_ADl7zQ z6@S=P7O3wsCT`4~9H1z$*&|wq2`W}FabxM^53zT^#+{FIg^5>8+*mvLgNo4PRf)U6 Z?yt9ZoV+5b1guUzc`d|g=Tly40szZ-mRbM+ delta 423 zcmdlnmubgbrVUHj**E+x4PjvDn7FZbvIR%MWQ90^$qzULfHVh`Eiw58huCI5PCia% zpxVvyLcEM%hQ2VAVJ`w@_=}1%BAfR?MQO5>codS*W)2AzsBTG^ZmF{zVDtEuLzzH~ z$?`(4CkLr1!P!ab5cYiYg_|`rbin$7ie_&9pee!*R%I_WfAccKZ4i^=jiDyzn?M=$ zrcg$|8I&>K{47Lqz9meJ)n68{GwSVaS;36`E~Q|`