To turn DFT code into subroutine, is it enough to
PROGRAM -> SUBROUTINE
Use MPI_Initialized and MPI_Finalized to avoid calling MPI_INIT and MPI_FINALIZE from the subroutine
Remove STOP statements that correspond to error-less termination of the program
To turn DFT code into subroutine, is it enough to PROGRAM -> SUBROUTINE Use MPI_Initialized and MPI_Finalized to avoid calling MPI_INIT and MPI_FINALIZE from the subroutine Remove STOP statements that correspond to error-less termination of the program