Next: 8 How can I
Up: Tutorial for the Thermo_pw
Previous: 6 How do I
Contents
thermo_pw is not a crystal structure viewer, but you can use a code such
as XCrySDen that is able to read the pw.x input and
see the crystal structure. If you use what='plot_bz',
thermo_pw produces a .xsf file that contains the structure given in
input and can be read directly by XCrySDen. This could
be useful if you have the space group and the inequivalents atomic positions.
The generated .xsf file contains all the symmetry equivalent
atomic positions. For the same purpose you could also use the output
of pw.x.
2018-04-03