From 0a07681455084df7a4989434eca6b00da096e500 Mon Sep 17 00:00:00 2001 From: Manuel Zingl Date: Mon, 12 Oct 2015 14:09:03 +0200 Subject: [PATCH] Small change to doc and faq added regarding optics --- doc/faqs/faqs.rst | 6 ++++++ doc/guide/transport.rst | 2 +- 2 files changed, 7 insertions(+), 1 deletion(-) diff --git a/doc/faqs/faqs.rst b/doc/faqs/faqs.rst index 378bb04f..9a3cd2f8 100644 --- a/doc/faqs/faqs.rst +++ b/doc/faqs/faqs.rst @@ -20,6 +20,12 @@ the parameters as desired. .. literalinclude:: plotting_spaghettis.py +x optic does not write a case.pmat file +--------------------------------------- +Make sure that you set line 6 to "ON" and put a "1" to the following line. +The "1" is undocumented in Wien2k, but needed to have `case.pmat` written. +However, we are working on reading directly the `case.mommat2` file. + Why is my calculation not working? ---------------------------------- diff --git a/doc/guide/transport.rst b/doc/guide/transport.rst index a0479b7a..030939cd 100644 --- a/doc/guide/transport.rst +++ b/doc/guide/transport.rst @@ -65,7 +65,7 @@ The basics steps to calculate the matrix elements of the momentum operator with 6) Run `x optic`. Additionally the input file :file:`case.inop` is required. A detail description on how to setup this file can be found in the Wien2k user guide [#userguide]_ on page 166. -Here the energy window can be chosen according to the window used for :program:`dmftproj`. However, keep in mind that energies have to be specified in absolute values! Furthermore it is important to set line 6 to ON for printing the matrix elements to the :file:`.pmat` file. +Here the energy window can be chosen according to the window used for :program:`dmftproj`. However, keep in mind that energies have to be specified in absolute values! Furthermore it is important to set line 6 to "ON" and a "1" in the next line for printing the matrix elements to the :file:`.pmat` file. Using the transport code