Pembahasan ONMIPA Mekanika Klasik tingkat Nasional 2023 nomor 1

 

jika ada saran kirim ke jessiemanopo@gmail.com

QUANTUM ESPRESSO Tutorial: How to calculate work functions

This is my first post about Quantum ESPRESSO. In this tutorial I'm going to show you how to calculate work function of a material using Quantum ESPRESSO. The calculation is pretty easy, you need only to calculate scf, As an example, let's calculate the work function of Ti3C2 MXene monolayer.

For this calculation, here is scf my input file:

 After scf calculation, you need to calculate the electrostatic potential using pp.x:

After this calculation, we would get MXene_OH_Bridge.pot file which contains its electrostatic potential. Usually, we need to average its electrostatic potential through a plane. In this case, I calculated the average electrostatic potential in xy plane using average.x, here is the input file:

After that you will get an avg.dat file which contains three columns:

The first column is the spatial vector which is represented in bohr units, column 2 represents the averaged quantity, and column 3 represents the macroscopic average of the quantity, in this case, the electrostatic potential. It should be noted that in this output file, the energy is represented in Rydberg unit. Here is the result:

The work function can be calculated as follows:

$$\phi = E_{vac} - E_F $$

where \(\phi\) is the work function, \(E_{vac}\) is the vacuum level, and \(E_F\) is the Fermi level of the material which is obtained from the scf calculation.

How to install TLPUI in Ubuntu 22.04 Jammy Jellyfish

sudo apt install tlp tlp-rdw

sudo tlp start

sudo apt install python3-gi git python3-setuptools python3-stdeb dh-python

git clone https://github.com/d4nj1/TLPUI

cd TLPUI

python3 setup.py --command-packages=stdeb.command bdist_deb

sudo dpkg -i deb_dist/python3-tlpui_*all.deb

Pembahasan Kuis 1 Mekanika Statistik ITB 2021/2022-1

Jika menemukan kesalahan mohon layangkan email ke jessiemanopo@gmail.com

Soal ASLI UTBK/SBMPTN 2017 TKD Saintek kode 136

Berikut adalah soal SBMPTN asli tahun 2017 kode 136

Pembahasan ONMIPA/KNMIPA Fisika tingkat Nasional tahun 2019 bidang Fisika Modern dan Mektum nomor 3

 

Ini jawaban gue, tapi gue gk bisa jawab yang nomor f ya gpp kan jika ada saran kirim ke jessiemanopo@gmail.com

Pembahasan ONMIPA/KNMIPA Fisika 2020 tk Nasional bidang Fisika Modern no. 1

Berikut adalah pembahasan ONMIPA/KNMIPA Fismod no. 1 tingkat Nasional tahun 2020 versi saya. Jika ditemukan kesalahan, diharapkan mengirimkan saran ke jessiemanopo@gmail.com terima kasih.