[DFTB-Plus-User] Ask for help to resolve an error
haniyeh safari
safari_haniyeh_3 at yahoo.com
Tue Feb 22 07:23:59 CET 2022
Dear developer team,
First of all, thank you for developing this practical and fast code that you have provided to us for free.I have installed DFTB+ 21.2. I'm using DFBT+ and Im interested to use the xTB hamiltonians.
I'm trying to apply the xTB hamiltonians on MgF2 crystal and have received this error:
" ERROR!
-> Generalized Born model currently not available with PBCs
Path: dftbplusinput/Hamiltonian/DFTB/Solvation/GeneralizedBorn
Line: 38-70 (File: dftb_in.hsd) "
and I'm not sure if the tblite library is properly installed.
I'll be grateful, If you can help me how to fix this error.
Warm Regards
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