When I calculate the exciton spatial distribution by ypp -e w, I should fix the position of the hole.

My question is how to calculate when my hole coordinates are negative.

This is the coordinates of my structure:

Code: Select all

```
C -0.9843082272 0.0027634025 -0.9642687937
C -0.9273147084 0.0027628694 -0.9409323059
C -0.9082547812 0.0027508752 -0.8216156622
C -0.8514579434 0.0027478710 -0.7974394868
C -0.8331223728 0.0027651980 -0.6776064043
C -0.7764543927 0.0027729314 -0.6522924862
C -0.7589102401 0.0028358998 -0.5342108959
C -0.8138003470 0.0027569081 -0.8915783241
C -0.7396384107 0.0027331474 -0.7496139386
C -1.0777315092 0.0026824966 -0.2269671821
C -1.0035588910 0.0027725396 -0.0850190185
C -1.0584689362 0.0026868788 -0.4423804176
```

I appreciate your help in advance !

best

wangj