From 66392dfd94f550c958e9ee0e1befd949c8fc4ced Mon Sep 17 00:00:00 2001 From: aichhorn Date: Tue, 18 Aug 2015 11:10:33 +0200 Subject: [PATCH] changes in transport part to be compliant with the structure of HDFArchive save/load --- doc/guide/transport.rst | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/doc/guide/transport.rst b/doc/guide/transport.rst index 17a74df6..64404979 100644 --- a/doc/guide/transport.rst +++ b/doc/guide/transport.rst @@ -84,9 +84,10 @@ First we have to read the Wien2k files and store the relevant information in the Additionally we need to read and set the self energy, the chemical potential and the double counting:: ar = HDFArchive('case_Sigma.h5', 'a') - SK.put_Sigma(Sigma_imp = [ar['dmft_transp_output']['Sigma_w']]) - SK.chemical_potential = ar['dmft_transp_output']['chemical_potential'] - SK.dc_imp = ar['dmft_transp_output']['dc_imp'] + SK.put_Sigma(Sigma_imp = [ar['dmft_output']['Sigma_w']]) + chemical_potential,dc_imp,dc_energ = SK.load(['chemical_potential','dc_imp','dc_energ']) + SK.set_mu(chemical_potential) + SK.set_dc(dc_imp,dc_energ) del ar As next step we can calculate the transport distribution :math:`\Gamma_{\alpha\beta}(\omega)`:: @@ -103,7 +104,10 @@ For complete description of the input parameters see the :meth:`transport_distri The resulting transport distribution is not automatically saved, but this can be easily achieved with:: SK.save(['Gamma_w','Om_meshr','omega','directions']) - SK.load(['Gamma_w','Om_meshr','omega','directions']) + +You can retrieve it from the archive by:: + + SK.Gamma_w, SK.Om_meshr, SK.omega, SK.directions = SK.load(['Gamma_w','Om_meshr','omega','directions']) Finally the optical conductivity :math:`\sigma(\Omega)` and the Seebeck coefficient :math:`S` can be obtained with::