diff --git a/doc/guide/conv_elk.rst b/doc/guide/conv_elk.rst index 7ffd68c7..c4119efa 100644 --- a/doc/guide/conv_elk.rst +++ b/doc/guide/conv_elk.rst @@ -115,7 +115,7 @@ The band structure information is converted into TRIQS by using:: Spectral function Energy Contour Plots (Fermi Surfaces) from Elk inputs ------------------------------------------------------------------ +----------------------------------------------------------------------- Here, we will discuss how to plot the Fermi surface contour or any other non-zero omega spectral function contour plot. The energy eigenvalues, projectors and so on required for the contour plot needs to be outputed from Elk. This is done by using:: diff --git a/doc/guide/dftdmft_selfcons.rst b/doc/guide/dftdmft_selfcons.rst index 2244aff3..91c4ae54 100644 --- a/doc/guide/dftdmft_selfcons.rst +++ b/doc/guide/dftdmft_selfcons.rst @@ -20,8 +20,7 @@ Wien2k + dmftproj construct the Wannier functions. For this step, see either sections :ref:`conversion`, or the extensive :download:`dmftproj manual`. -In the following, we discuss how to use the -:ref:`TRIQS ` tools in combination with the Wien2k program. +In the following, we discuss how to use `TRIQS `_ in combination with the Wien2k program. We can use the DMFT script as introduced in section :ref:`singleshot`, with just a few simple modifications. First, in order to be compatible with the Wien2k standards, @@ -136,8 +135,8 @@ removed. The shell script, in turn, waits for the VASP process and once the lock file is created it starts a DMFT iteration. The DMFT iteration must finish by generating a Kohn-Sham (KS) density matrix (file `GAMMA`) and removing the lock file. The VASP process then reads in `GAMMA` -and proceeds with the next iteration. PLOVasp interface provides a shell-script :program:`vasp_dmft` (in the triqs bin directory): -:: +and proceeds with the next iteration. PLOVasp interface provides a shell-script :program:`vasp_dmft` (in the triqs bin directory):: + vasp_dmft [-n ] -i -j [-v ] [-p ] [] If the number of cores is not specified it is set to 1 by default.