[QE-users] NaN Energy Issue in Quantum ESPRESSO 7.3.1 with 'twochem = .true.' for SOC Calculations

[Giovanni Marini]

Hello,

the NaN appears because a value for the degauss_cond parameter was not specified in the input file (please refer to the pw.x input file manual).
Let me know if you have further problems
Best,


Giovanni Marini
University of Trento

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