<div>Dear CP2K developers and users,</div><div><br></div>Hi, I wanted to perform some calculations with DFTB for a carbon nitride system but it terminates with no specific error. CP2K is compiled with Intel 2020 compilers and the executable successfully runs the calculations for the `regtests` in `tests/DFTB` folder. I have tried multiple changing in input including SCF with diagonalization and with OT but it seems that it doesn't work at all. Also, I use the same Slater-Koster files as in the `data` folder (not the external ones in the DFTB+). Do you have any suggestions to make it work? <div>My goal is to compare the DFTB and xTB. The calculations runs with xTB but not with DFTB. Below are the files I use for calculations. Thank you very much in advance!</div><div><div><br></div></div>
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