Commit 80af3036 authored by anoop chandran's avatar anoop chandran

Multi line table cells

parent 93ab4973
.. _keywords:
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Keywords
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Common Keywords
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.. warning:: This section discusses several settings that are common for all calculations. Some of them are explained in more detail in later sections.
Common settings
================
This section discusses several settings that are common for all calculations. Some of them are explained in more detail in later sections.
General Settings
=================
MEM
-----------
......@@ -111,7 +111,8 @@ BANDINFO
(*) In some cases, it may be necessary to replace the energy eigenvalues, provided by the mean-field (DFT) code, by energies (e.g., GW quasiparticle energies) obtained in a previous Spex calculation, for example, to determine the GW Fermi energy or to perform energy-only self-consistent calculations. This can be achieved with the keyword ``ENERGY file``, where ``file`` contains the new energies in eV. The format of ``file`` corresponds to the output of the ``spex.extr`` utility: ``spex.extr g spex.out > file``. It must be made sure that ``file`` contains energy values for the whole irreducible Brillouin zone. Band energies not contained in ``file`` will be adjusted so that the energies are in accending order (provided that there is at least one energy value for the particular k point).
+---------+-----------------------+-----------------------------------------------------------------------------------------------+
| Example | ``ENERGY energy.inp`` | Replace the mean-field energy eigenvalues by the energies provided in the file ``energy.inp`` |
| Example | ``ENERGY energy.inp`` | | Replace the mean-field energy eigenvalues by the |
| | | | energies provided in the file ``energy.inp`` |
+---------+-----------------------+-----------------------------------------------------------------------------------------------+
DELTAEX
......@@ -119,7 +120,8 @@ DELTAEX
(*) This keyword modifies the exchange splitting of a collinear magnetic system, i.e., it shifts spin-up and spin-down energies relative to to each other so as to increase or decrease the exchange splitting. With ``DELTAEX x``, the spin-up (spin-down) energies are lowered (elevated) by x/2. The parameter x can be used to enforce the Goldstone condition in spin-wave calculations [Phys. Rev. B 94, 064433 (2016)]
+---------+-------------------+---------------------------------------------------------------------------------------------------+
| Example | ``DELTAEX 0.2eV`` | Increase the exchange splitting by 0.2eV (spin-up/down energies are decreased/increased by 0.1eV) |
| Example | ``DELTAEX 0.2eV`` | | Increase the exchange splitting by 0.2eV |
| | | | (spin-up/down energies are decreased/increased by 0.1eV) |
+---------+-------------------+---------------------------------------------------------------------------------------------------+
PLUSSOC
......
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