Dear Quantumwise staff:
Hi,
I want to simulate the MoS2 and WSe2 Van der Waals FET, the electrodes are p-doping. at the beginning of Equivalent Bulk calculation, ATK shows a warning:
"Not all occupied bands were included in the diagonalization. The eigenvalues will be re-calculated with an increased number of bands"
i want to know what causes this warning?
Thanks