From 8a53a80e1e2cae74ba01310301d161da80b43733 Mon Sep 17 00:00:00 2001
From: Manuel <manuel.zingl@gmx.at>
Date: Tue, 3 Jul 2018 14:44:03 -0400
Subject: [PATCH] Fix a few documentation issue of the VASP converter

---
 doc/guide/conversion.rst            | 22 +++++++++++++++++-----
 python/converters/plovasp/vaspio.py |  4 ++--
 2 files changed, 19 insertions(+), 7 deletions(-)

diff --git a/doc/guide/conversion.rst b/doc/guide/conversion.rst
index 28f0ddf2..1e695149 100644
--- a/doc/guide/conversion.rst
+++ b/doc/guide/conversion.rst
@@ -189,10 +189,14 @@ Interface with VASP
   yet publicly released. The documentation may, thus, be subject to changes
   before the final release.
 
-The interface with VASP relies on new options introduced since
-version 5.4.x. The output of raw (non-normalized) projectors is
-controlled by an INCAR option LOCPROJ whose complete syntax is described in
-VASP documentaion.
+Note that this VASP interface relies on new options introduced since version
+5.4.x.
+
+Additionally, the interface only works correctly if the k-point symmetries
+are turned off during the VASP run (ISYM=-1).
+
+The output of raw (non-normalized) projectors is controlled by an INCAR option 
+LOCPROJ whose complete syntax is described in the VASP documentaion.
 
 The definition of a projector set starts with specifying which sites
 and which local states we are going to project onto.
@@ -222,6 +226,9 @@ In order to use the projectors generated by VASP for defining an
 impurity problem they must be processed, i.e. normalized, possibly
 transformed, and then converted to a format suitable for DFT_tools scripts.
 
+Currently, it is necessary to add the Fermi energy by hand as the fifth value
+in the first line of the LOCPROJ file before the next steps can be executed.
+
 The processing of projectors is performed by the program :program:`plovasp`
 invoked as
 
@@ -250,7 +257,12 @@ Option **TRANSFORM** is optional but here it is specified to extract
 only three :math:`t_{2g}` orbitals out of five `d` orbitals given by 
 :math:`l = 2`.
 
- 
+For the conversion to a h5 file we use on the python level (in analogy to the Wien2kConverter)::
+
+    from triqs_dft_tools.converters.vasp_converter import *
+    Converter = VaspConverter(filename = filename)
+    Converter.convert_dft_input()
+
 A general H(k)
 --------------
 
diff --git a/python/converters/plovasp/vaspio.py b/python/converters/plovasp/vaspio.py
index f460b61a..3c0faa64 100644
--- a/python/converters/plovasp/vaspio.py
+++ b/python/converters/plovasp/vaspio.py
@@ -345,7 +345,7 @@ class Poscar:
         ----------
 
         vasp_dir (str) : path to the VASP working directory [default = `./']
-        plocar_filename (str) : filename [default = `PLOCAR']
+        plocar_filename (str) : filename [default = `POSCAR']
 
         """
 # Convenince local function
@@ -465,7 +465,7 @@ class Kpoints:
         ----------
 
         vasp_dir (str) : path to the VASP working directory [default = `./']
-        plocar_filename (str) : filename [default = `PLOCAR']
+        plocar_filename (str) : filename [default = `IBZKPT']
 
         """