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quantum-espresso/PP/examples/example08
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Iurii Timrov 703775c736 DFT+U interface with Wannier90 & visualization of Hubbard projectors 2024-11-29 16:53:23 +00:00
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reference DFT+U interface with Wannier90 & visualization of Hubbard projectors 2024-11-29 16:53:23 +00:00
README DFT+U interface with Wannier90 & visualization of Hubbard projectors 2024-11-29 16:53:23 +00:00
run_example DFT+U interface with Wannier90 & visualization of Hubbard projectors 2024-11-29 16:53:23 +00:00

README 

This example shows how to plot the squared modulus of the Hubbard 
projectors functions of DFT+U. 

It is necessary to set disk_io = 'medium' in the pw.x input file 
in order to save on disk the Hubbard projectors for the post-processing.

Currently, only iflag = 3 is supported, while output_format can be 5 or 6.

Current limitations:
- symmetry must be disabled
- noncollinear case is not supported