p4vasp
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Change of labels in vasp 5.4.4
Hi, it seems that some labels to plot dos and bands have changed in vasp 5.4.4 (file sphpro.F). For example, "dx2" is now called "x2-y2". Therefore when plotting lm-decomposed dos, dx2 is not showing up. The fix shouldn't be difficult, but it requires to take into account the vasp version which was used to generate the vasprun.xml file.
Thanks.
Indeed.
Search shows following files contain the tag dxy
.
.//lib/p4vasp/SQLSystemPM.pyc
.//lib/p4vasp/applet/ElectronicApplet.py
.//lib/p4vasp/applet/ElectronicApplet.pyc
.//lib/p4vasp/SQLSystemPM.py
.//doc/api/python/p4vasp.applet.ElectronicApplet-pysrc.html
.//doc/api/python/p4vasp.SQLSystemPM-pysrc.html
.//doc/api/python/p4vasp.applet.ElectronicApplet-module.html
.//data/glade2/lbandsapplet.glade
.//data/glade2/elcontrolapplet.glade
.//data/glade2/ldosapplet.glade
.//data/glade/lbandsapplet.glade
.//data/glade/ldosapplet.glade
Chang all dx2
to x2-y2
should do the trick.
(ignore the.pyc
and .html
files)