13 lines
613 B
Plaintext
13 lines
613 B
Plaintext
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This directory contains what is needed to glue maps and vasp together.
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Here are the functions of each file
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runstruct_vasp: main script that does everything needed to get the energy of
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a structure. It needs the files below.
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cleanvasp: cleanup the results of a vasp run
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ezvasp: user-friendly front-end to vasp (ezvasp -h for help)
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ezvasp.txt: help file printed by ezvasp -h must reside where ezvasp is.
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vasp.wrap: A file called vasp.wrap residing in the directory where maps is
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started is needed to specify the parameters of the all runs.
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This is an example of such file.
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