[PW_forum] Calculating Raman Intensities

[John B Burdette]

Hello everyone,

I am attempting to create the Raman spectrum for the CaF2
crystal using PWSCF.  When I run the program ph.x with
lraman=.true. I receive the following error:
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from raman : error #         1
     Vanderbilt not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Note also when I set lraman=.false. the program ran smoothly,
although I could not make a Raman spectrum.  When attemping to
find where this error was coming from, I found it occurs when
the variable 'okvan' is set equal to true which only happens
when there is at least one Ultrasoft Pseudopotential being
used in the setup.f90 file for the pw.x program.  I am using
two USPPs and both are in Vanderbilt format.  Is there a
reason why this error should be coming up even though I
believe Vanderbilt is indeed being implemented?  Also, is
there anything I can do about this?  Here is my input file for
the ph.x program.

CaF2 Phonons at Gamma
Testing
&inputph
   amass(1)=40.078,
   amass(2)=18.9984032,
   tr2_ph=1.0d-12,
   outdir='./',
   prefix='_CaF2K6',
   fildyn='CaF2.dyn',
   fildrho='CaF2.drho',
   epsil=.true.,
   zue=.true.,
   trans=.true.,
   lraman=.true.,
   ldisp=.true.,
   nq1=6, nq2=6, nq3=6,
/

Thanks ahead of time for anyone willing to assist me.

Best,
John