[QE-users] Quantum espresso 7.1

Maria Fumanal Quintana mfumanal at ub.edu
Wed Oct 26 16:05:57 CEST 2022


Dear QE developers,

I have a problem with the version 7.1 of Quantum Espresso, both using GPU and only CPU, when the scf finishes the calculation stops when writing the .save files and the error file says:

ERROR(FoX)
xml_AddAttribute: Invalid character in value
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

Find attached the input, output and err file of the calculations, could you help me to solve the problem?

Many thanks in advance

Maria




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