Messages

1

General Questions and Answers / Re: No charge value when run the Mulliken population

« on: March 18, 2018, 08:43 »

This is the list of value obtained

2

General Questions and Answers / Re: Device form bulk did not appear

« on: March 13, 2018, 10:25 »

Thank you, Daniele. Attached was the structure

3

General Questions and Answers / No charge value when run the Mulliken population

« on: March 13, 2018, 09:34 »

Why there is no charge value when I run the Mulliken population at any positions of gas molecule towards the phosphorene layer?

Position of gas molecule: on top of the phosphorene layer (1. above the bond ; 2. above the atom)

4

General Questions and Answers / Device form bulk did not appear

« on: March 11, 2018, 10:06 »

Hi all,

I want to know why there was no electrode when I clicked the device from bulk? any ideas?

5

General Questions and Answers / Re: Stress at gate of MOSFET

« on: November 7, 2017, 17:45 »

Thank you for the information, Daniele 

6

General Questions and Answers / Re: Stress at gate of MOSFET

« on: November 2, 2017, 15:55 »

The coding is something like this.

# Set up configuration
bulk_configuration = BulkConfiguration(
    bravais_lattice=FaceCenteredCubic(5.4*Angstrom),
    elements=[Gallium, Arsenic],
    cartesian_coordinates=[[ 0.      ,  0.      ,  0.      ],
                         [ 1.413425,  1.413425,  1.413425]]*Angstrom
    )

calculator = LCAOCalculator(
    numerical_accuracy_parameters=NumericalAccuracyParameters(
    k_point_sampling=(4, 4, 4))
    )

bulk_configuration.setCalculator(calculator)

#calculate the stress
stress = Stress(bulk_configuration)
nlprint(stress)

After simulation, 3x3 matrices appeared. There was no something like "Stress = 4.12111" .

7

General Questions and Answers / Stress at gate of MOSFET

« on: November 1, 2017, 10:20 »

Hi all,
How to put stress on the gate of MOSFET.
I already tried it. Only values in matrices were shown . It is 3x3 matrices.
What does it mean?