[gpaw-users] Error in RPA calculation

[navagyan ghimire]

Hello all,

I'm trying to do an RPA calculations starting from the spin-polarized PBE,
for Aluminum(Al) bulk system, by fixing the magnetic moment. GPAW was able
to diagonalize the Hamiltonian for RPA calculations, but RPA correlation
energy calculation stopped with the following error.

    tmp = (eps_n - fermi) / width
 ValueError: operands could not be broadcast together with shapes (268,)
(2,)
 (node 17): <class 'ValueError'> occurred.  Calling MPI_Abort!

The shape of eps_n and fermi were different, and causing this error. How to
resolve this issue?

We haven't seen this problem in the RPA calculation from spin-unpolarized
PBE calculation.

Here, I have attached the scripts for PBE and the RPA calculations and
error file.

Thank you,

Navagyan Ghimire
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