"STARTB1:...." error in convergence step about aiida-kkr HOT 4 CLOSED

For atom 39 the shapefunction radial mesh defined in the shapefun does not match the radial mesh in the potential entry. This is because there is a typo in your inputcard:

<ZATOM>  <SHAPE>
...
31.0       33
33.0       34
 0.0       34   <<< should be 35 (see voronoi output file atominfo.txt (NTC column)
 0.0       36
31.0       37
...

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I got it. Thank you.

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Dear Philipp,
I want to ask one more thing. When I am working with Bi atom, in voronoi step I am facing error in finding the Bi potential. I saw in ElementDataBase there is Bi83.genpot and not Bi83.pot. The error message is:

Using database ....: ElementDataBase/Bi83.pot
Error in JELLSTART
Potential.............Bi83
Does not exist in the database

I will be very grateful if you kindly tell me what to do in such a case.
Thank you.

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As I said in another issue, you can find it in the develop branch of JuKKR. You can download it from here and put it into your ElementDatabase

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