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Improvements of examples #138

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KylinGuo opened this issue Jan 2, 2024 · 0 comments
Open

Improvements of examples #138

KylinGuo opened this issue Jan 2, 2024 · 0 comments

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@KylinGuo
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KylinGuo commented Jan 2, 2024

Dear Developers,

The provided documentation illustrates the utilization of pyprocar for various tasks; however, it lacks VASP inputs. I suggest incorporating VASP/QE inputs (INCAR, KPOINTS, POSCAR) into the distribution, excluding the copyrighted POTCAR file. It would enhance user experience if the output files are also included.

Starting with these examples can serve as a beneficial practice, allowing users to employ similar methods for exploring systems of their interest. Upon reviewing the original paper of PyProcar, I observed that not all examples were included.

Your consideration in including comprehensive examples with VASP/QE inputs and output files would greatly enhance the usability of pyprocar.

Best regards,
Qilin.

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