I use the cp2k-2025.2 version.
The stress unit is bar according to the output file and documents.
I see the cp2kdata using the EV_ANG_m3_TO_GPa = PressureConversion("eV/angstrom^3", "GPa").value().
Is it correct?
I use the AI to derive it.
It seems EV_ANG_m3_TO_bar = PressureConversion("eV/angstrom^3", "bar").value() is correct.
There is a 10e4 difference between them.
But I am not sure if dpdata will also convert it, if I am incorrect. Please tell me.
I use the cp2k-2025.2 version.
The stress unit is bar according to the output file and documents.
I see the cp2kdata using the
EV_ANG_m3_TO_GPa = PressureConversion("eV/angstrom^3", "GPa").value().Is it correct?
I use the AI to derive it.
It seems
EV_ANG_m3_TO_bar = PressureConversion("eV/angstrom^3", "bar").value()is correct.There is a 10e4 difference between them.
But I am not sure if dpdata will also convert it, if I am incorrect. Please tell me.