Ciao Omololu, You can use pp.x to plot |psi|^2 (plot_num=7) which are the modulus square of the KS eigenfunctions......you can plot it for each band and each k-point. For details have a look in the INPUT_PP.txt file in the Doc directory of QE distribution.
Prasenjit On 27 June 2011 18:17, Omololu Akin-Ojo <prayerz.omo at gmail.com> wrote: > Ciao Tutti, > > Pls how does one plot the Kohn-Sham wavefunctions in real space? Is > there a program/way to extract information from the PWSCF files and > write the wavefunction in *.xsf format (for xcrysden) or cube format? > > Thank you for any help. > > Omololu Akin-Ojo > Postdoctoral Fellow, > International Centre for Theoretical Physics (ICTP) > Trieste, Italy > > -- > ***************** Seek GOD! ************* > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- PRASENJIT GHOSH, Assistant Professor, IISER Pune, First floor, Central Tower, Sai Trinity Building Garware Circle, Sutarwadi, Pashan Pune, Maharashtra 411021, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790
