self prepared POSCAR

[huya...@gmail.com]

Hello,

I found that if I use my own structure (instead of by providing a mpid), the pycdt will refuse to parse output data after VASP calculation. Is there any reason for this?

Thanks,

Yaoqiao

[Bharat Medasani]

I don't see a reason for this.  Share your calculation folder via Google drive so I can debug it. Please remove wavecar and chgcar and chg files in the shared folder. 

Bharat

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[huya...@gmail.com]

Hello,

Here is the link of my calculation.

https://drive.google.com/file/d/1O5EfKRYBgXQwdbrsHatL34L2pwnMOT0K/view?usp=sharing

Thanks,

Yaoqiao