I searched the forum for "potcar" "Structure of Potcar file" and "potcar parameters' but only got the generic response that my query was too general. Unfortunately, I don't know how else to ask for the structure of the potcar file! My question is: What are the individual entries and their meaning?
Any help will be appreciated.
structure of potcat file
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KWH
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ferenc_karsai
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Re: structure of potcat file
There is no official documentation of the POTCAR file, but it will come in future.
The lack of documentation is also due to the complicated procedure of constructing a PAW/pseudo potential.
Most of the parameters must not be touched by the user and the most important entries in the POTCAR file should be self-explanatory.
Which entries are bugging you?
The lack of documentation is also due to the complicated procedure of constructing a PAW/pseudo potential.
Most of the parameters must not be touched by the user and the most important entries in the POTCAR file should be self-explanatory.
Which entries are bugging you?