info: number of up-spin electrons is equal to the
number of down-spins and spin_polarized=true
- consider setting spin_polarized=false .
Error in File Parameters: CAN Not have fractional Number of Electrons and FIX_OCCUPANCY = TRUE
file application Called MPI_Abort (of MPI_COMM_WORLD,. 1) - Process 0
number of down-spins and spin_polarized=true
- consider setting spin_polarized=false .
Error in File Parameters: CAN Not have fractional Number of Electrons and FIX_OCCUPANCY = TRUE
file application Called MPI_Abort (of MPI_COMM_WORLD,. 1) - Process 0
