QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on June 21, 2020, 03:01

Title: Warning on calculating FET
Post by: kaypu on June 21, 2020, 03:01

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

Title: Re: Warning on calculating FET
Post by: Anders Blom on October 2, 2020, 21:07

You can ignore this, it's just an information message about the internal workings of the algorithm in QuantumATK