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Two warnings about bandstructureplots HOT 2 CLOSED

gvallverdu avatar gvallverdu commented on August 17, 2024
Two warnings

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Comments (2)

gVallverdu avatar gVallverdu commented on August 17, 2024

Hello
These warnings do not come from my script. The first is a pymatgen warning and the second a matplotlib ones.

Considering the first about energy without entropy. Look at your calculation. Did you use a VdW correction ? I do not use final_energy in my scripts. What are you looking for ?

I see that you are using python2.7. Maybe the matplotlib warnings comme from here. Is this all the output or does python say which line of my script gives you that warnings ?

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sepplhans avatar sepplhans commented on August 17, 2024

Yes, i used vdW correction (DFT-D3 Method).
I want to plot the band-structure beside the DOS-plot of my simulated unit cell.
thank you for your help!

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