Tuesday, May 29, 2012

input for plotband.x

It is fairly trivial but might help some beginner some day..

Input format for Quantum Espresso post-processing executable plotband.x is

name_of_file_produced_by_bands.dat
name_of_grace_output.xmgr
name_of_ps_output.ps
e_fermi_value
delta_energy, reference_energy

You can run it interactively any time you forget what is what, so that the code prompts you the question, like "name of the bands file pls " etc
but if you wanna have it in your script, you can use the above definitions.

hope this helps.

2 comments:

Unknown said...

Tahnk you very mutch it did :)

Rogerio said...

thank you!

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