Commit c833de14 authored by Gregor Michalicek's avatar Gregor Michalicek

Adapted CuDOSXML test to recent move from the brzone to the brzone2 routine

In brzone2 the IBZ is constructed with a different algorithm in comparison
to brzone. The outcome is that the corners and faces of the IBZ are provided
in a differnt order. Note that there is no clear order for these lists
predefined. The k-point mesh generated by kpttet slighly relies on the order
of the faces and corners. So the usage of brzone2 lead to the generation of
a slighly different but also correct k-point mesh.

The energy mesh in the DOS.1 file depends on the k-point mesh. Thus the
energy grepped for in the CuDOSXML test had to be adapted to the new mesh.
parent d15dd904
......@@ -7,6 +7,6 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output
$result+=jt::test_grepnumber("$workdir/DOS.1","10.88235","10.88235 (.....)",0.105,0.0001);
$result+=jt::test_grepnumber("$workdir/DOS.1","10.88486","10.88486 (.....)",0.105,0.0001);
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment