[QE-users] raman with phcg

[Aleksandra Oranskaia]

Dear user and developers of QE,

Can someone please explain what is the meaning of this error and how to fix
it?

Input is the same as in PHonon/example12 (qe-6.7) with putting SiH4 in the
middle of the ibrav = 1 with A = 20.0, plus setting lraman = .True.,
deltatau = 0.01.

Error in output:
...
    Starting calculation of Raman coefficients
     NEW-OLD atomic charge density approx. for the potential

     negative rho (up, down):  1.334E-06 0.000E+00
     Generating pointlists ...
     new r_m :   0.0409 (alat units)  1.1598 (a.u.) for type    1
     new r_m :   0.0409 (alat units)  1.1598 (a.u.) for type    2

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  make_pointlists (1):
      inconsistent sizes
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-- 
Best wishes,
Alex (she/her/hers),
phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/

-- 

This message and its contents, including attachments are intended solely 
for the original recipient. If you are not the intended recipient or have 
received this message in error, please notify me immediately and delete 
this message from your computer system. Any unauthorized use or 
distribution is prohibited. Please consider the environment before printing 
this email.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220605/faff5ed9/attachment.html>