Author Topic: LOCPOT 1D projector bug  (Read 1000 times)

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Offline Dhirendra

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LOCPOT 1D projector bug
« on: March 10, 2016, 12:20 »
Hi, I find that the 1D projector LOCPOT is calculated wrongly. I used the script here, https://github.com/compphys/ase_tools/blob/master/scripts/vtotav.py
which gives the correct value of the workfunction. The I precisely suspect the factor 4 that is being divided unnecessarily, can you please check this.

Offline Umberto Martinez

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Re: LOCPOT 1D projector bug
« Reply #1 on: March 10, 2016, 16:07 »
Thanks for reporting the issue, we are aware of it and we will fix it as soon as possible.
This is only present for non-polarized calculations.
We'll keep you posted as soon as this is fixed.