[ase-users] Stress output with Octopus on ASE

[Wang Riping]

Dear ASE,

I am going to make Octopus calculation on ASE, but it gives the error as
ase.calculators.calculator.PropertyNotImplementedError: stress property not implemented.
How to solve it?

The input lines are as the following:

from ase.calculators.octopus import Octopus
calc = Octopus(command='yhrun -N 2 -n 48 -p bigdata  octopus > out',
               label='ethanol',
               Spacing=0.25,
               BoxShape='parallelepiped',
               Output='forces')
system.set_calculator(calc)

from ase.md import MDLogger
dyn.attach(MDLogger(dyn, system, logfile='md.log', header=True, stress=True, peratom=False, mode="w"), interval=1)


Thank you very much.
Riping Wang
2018.9.4
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