[Pw_forum] printing wavefunction on real grid

[vtmtrinh at caltech.edu]

Dear PWSCF Users,

I would like to print out the wavefunction with both real and imaginary
parts in real space. I started to look first at  'postproc.f90',
'punch_plot.f90', and 'local_dos.f90' (in directory PP).  I started from
there, because with the plot_num=7 |psi|^2 can be printed out, and thus I
think I can hard code, adding a few lines to print out psi in real space.

There is one part in the code 'local_dos' I don't understand is the case
where ', lsign=true', i.e. k=gamma and iflag=0, write |psi|^2*sign(psi),
why |psi|^2 has to multiply by sign(psi).  I read thru the code at this
part, but I still could not get it.

MyTrinh Vo


JPL/CalTech