[Pw_forum] Error in routine read_rho_xml (1): dimensions do not match

efi dwi indari efidwiindari at gmail.com
Thu Dec 17 03:11:04 CET 2015


Dear all,

I am now calculating the DOS of CsPbI3 using espresso-5.2.0 and would like
to know the contribution of each atom. I succeeded in the calculation of
Pb2+ and I3-, but I failed when I proceeded Cs+ nscf calculation.

The error was as written on the title:

Error in routine read_rho_xml (1):
     dimensions do not match

It was my first time to have an error in nscf calculation. Since the scf
calculation was going well, I have no idea why this error appeared. I have
followed a discussion on
http://qe-forge.org/pipermail/pw_forum/2014-October/105331.html but it is
different case.

Please find below my scf (input and output) and nscf input files.

I would really appreciate your help on this case.

Thank you in advance.

Sincerely,

Efi
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