If what you actually need is the density of states projected onto atomic orbitals, you may use the postprocessing tool called projwfc.x in the PP directory. The related documentatio is written in INPUT_PROJWFC.txt, in the Doc directory.
GS wangqj1 wrote: > Dear all I want to know how to plot the charge or spin density for different > orbitals, > like 3d, 4s. As the chdens.x can only plots the total charge or spin density. > Any > advice will be appreciated ! Best wishes ! Q J Wang > > > > > ------------------------------------------------------------------------ > > _______________________________________________ Pw_forum mailing list > Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- La legge n. 133 uccide l'Universit? e la Ricerca italiana! Save Italian Brains! (http://saveitalianbrains.wordpress.com/) o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
