Dear users,
I want to compute MSD of CaO using QHA module for expanded lattice constant
=10.2174 a.u (9.1334 a.u being equlilibrium lattice constant). But I face
some error and my MSD is not generated. Attached file has the error faced
during calculation.
Any kind of help to solve the error is appreciated.
Thanks and regards.

Attachment: Error
Description: Binary data

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