Steps GO for ini and fin structure mind that IBRION = 2, and the atom index should be same. diff ini/POSCAR fin/POSCAR relax INCAR Global Parameters ISTART = 1 (Read existing wave...
Drude model in FDTD solutions
Drude model in FDTD solutions Plasma(Drude) The Plasma model is used to create a material with the the following relative permittivity. [\varepsilon_{total}(f)=\varepsilon-\frac{\omega_p^2}{2\pi...
Stop VASP during the program execution
STOPCAR During the VASP program execution, we can creat a file names STOPCAR to stop the program. If the STOPCAR contains the line: LSTOP = .TRUE. then VASP will stop at the next ionic step. I...
First Post
This is my first post of blog! And maybe it will continue to be updated in the future. The style of the website is borrowed from Dr. Qijing Zheng and jekyll-theme-chirpy . 2022-08-24 Dr. Qijing Z...
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