Ciao Prasenjit, Nice to read from you! Thank you so much. I will use |psi|^2 from PP as you suggested.
Grazie ancora. o. On Mon, Jun 27, 2011 at 9:46 AM, Prasenjit Ghosh <prasenjit.jnc at gmail.com> wrote: > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ***************** Seek GOD! *************
