Author Topic: Warning on calculating FET  (Read 4065 times)

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Offline kaypu

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Warning on calculating FET
« 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

Offline Anders Blom

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Re: Warning on calculating FET
« Reply #1 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