Relaxing twisted bilayer graphene using GAP20

[Gayani Pallewela]

Dear All,

I'm trying to relax twisted bilayer graphene using Drip and GAP20 potentials.

This is the first time I'm using GAP and have a hard time on determining the correct usage of the parameters.

Can some one assist with this.

Thanks and regards,

Gayani

ERROR: Pair coeff for hybrid has invalid style (src/pair_hybrid_overlay.cpp:63)
Last command: pair_coeff * * Carbon_GAP_20.xml  "Potential xml_label=Carbon_GAP_20.xml.sparseX.GAP_2020_4_27_60_2_50_5_4362" 6

[Gayani Pallewela]

I fixed one of the error.

pair_coeff * * quip Carbon_GAP_20.xml  "Potential xml_label=Carbon_GAP_20.xml.sparseX.GAP_2020_4_27_60_2_50_5_4362" 6

still not runnning propely