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How to import the *pot_fmt file to the model for dispalying?
I want to generate two *pot_fmt file and do a subtract calculation. Then I want to import the result *pot_fmt file to the model to display. I wander how to import?
January 4, 2018
Sorry I am lost. What is the context? What module is this?
January 8, 2018
I assume that this is CASTEP. Use CASTEP Analysi->Potentials to import the SCF local potential.
You then have to write a script to work on the script and write your won grid.
There is already a script which does this for the DMol3 electron density:
January 9, 2018
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