Remove useless and outdated write_psi_r_1
interface and improve related docs and examples
#6345
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Overview
Fix #5209.
This pull request includes updates to documentation, example files, and minor corrections across several files. The changes also involve improving the clarity and accuracy of wave function output instructions, fixing typographical errors, and updating file references.
The most important change is removing useless and outdated
write_psi_r_1
andwrite_chg_r_1
interface. Now all real-space information is output in.cube
format.Documentation Improvements:
docs/advanced/elec_properties/wfc.md
to clarify instructions for outputting wave functions in G-space and real space. This includes new file naming conventions and examples.docs/advanced/input_files/input-main.md
to fix typographical errors and improve readability.Example File Updates:
examples/11_wfc/README
to align with new naming conventions and provide clearer instructions for both G-space and real-space outputs.run.sh
) inexamples/11_wfc
to reflect new wave function file naming conventions.