[Pw_forum] Ultrasoft wavefunctions for all reference energies.

Michael Vargas (michaelv@Princeton.EDU) michaelv at Princeton.EDU
Sun Aug 5 22:07:13 CEST 2007


Hello, I am trying to output the AE and US wavefunctions for all the reference energies.
The file ld1.wfc only has the number of orbitals wavefunctions.  Same thing with the US pseudo.
If at all possible, I would like to have the wavefunctions for the first valence orbital, the first reference energy, the second reference energy, then the second valence orbital, the first reference energy.... and so on.  i have tried printing them out right before the line "!  For each angular momentum take the same integration point" in the file gener_pseudo.f90, but some of the functions seem to be unbound.  I appreciate any help the group can give me.



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