I am working on a dynamic simulation in DFTB+ module. The system is a 2D periodic graphene. After the calculation I received the following instruction in the text file :
Unexpected termination of DFTB+ Dynamics calculation
Could not calculate the forces.
DFTB + energy calculation did not complete successfully.
Please examine the.dftb file for error messages that might explain the..
The .dftb file showd the following in the attachment.
Where is the problem and what is the meaning of the error message? Can anyone help me please?
--- Keshab K. Adhikary
