Re: [QE-users] Question about |psi|^2 2D plot (XCrySDen)

2025-06-16 Thread Toshiharu Higuchi via users
Dear Paolo, Thank you for your comments. I changed the pp.in file. However, I got an error message with the same content. Something would be wrong. Please let me know if you notice anything. Best regards, Toshiharu Higuchi * [1] Revised pp.in file &INPUTPP

Re: [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1

2025-06-16 Thread Tone Kokalj
On Fri, 2025-06-13 at 20:36 +, Lustig, Steve via users wrote: > > > > Thank you very much for responding. Tcl-Tk exists for MacOS 15, but > there is no incr-tk package that can be installed by either homebrew > or macports.  Macports provide both itk and iwidgets that are needed for PWgui.

[QE-users] Bloch (Kohn-Sham) orbitals in QE calculations

2025-06-16 Thread Shubham Patel
Dear community and developers, I would like to know that where are the Bloch states/orbitals/wavefunctions in QE-DFT calculations are stored? Are those stored in *.wfc files? These are the binary files and can't access them. If those Bloch orbitals are stored in wfc files, could someone tell ho