[DFTB-Plus-User] Please help me with questions in using own defined skf file

kongerer kongerer at jlu.edu.cn
Tue Oct 22 09:14:40 CEST 2019

Dear all,

When I am using DFTB+ calculating atoms with my own defined skf file, I encountered the following problem:

Reading SK-files:

Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
-> Failure in short-range gamma cut-off : requested tolerance too large :   0.000000

It is difficult for me to track this problem. Could anyone please help me with this?

Many thanks!
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