Dear QE Users, This is a question about pp.x plot_num. I calculated plot_num=7 for a hydrogen atom and a carbon nanotube. For the hydrogen atom, I used normcons for pseudopotential. For the carbon nanotube, I used ultrasoft for pseudopotential. When I looked at the results, positive and negative values were output. I think that |psi|^2 would be output in plot_num=7 analysis. I think |psi|^2 only had positive values. I don't understand why negative values are coming out.
Best regards, Toshiharu Higuchi _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
