Python Tool Mbpt Lcao Plot

We developed a python tool to make simple the analyze of the data. This tool is interfaced with the ASE code therefore we provide a fork of ASE (hopefully the tools will be later included into the official ASE repository). Thsi tools can be used with the tddft_iter and tddft_tem calculations, and used to visualize several kind of data as well to produce animation wih the tddft_tem.

If you set the ase fork into you environment

export ASE_HOME=/PATH TO MBPT_LCAO/mbpt_domiprod.testing/ase-fork

then the tool can be run simply by

mbpt_lcao_plot.py

Without any argument, the tool will try to plot the polarizability from tddft_iter save into the hdf5 file tddft_iter_output.hdf5. If you didn't used HDF format you can set the option —format_input txt to access to text files. Much more option are available, you can see them by typing —help.

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