ARCHIVE
ML.zip (3.95 MB)
ARCHIVE
BL.zip (9.69 MB)
ARCHIVE
SW.zip (12.96 MB)
ARCHIVE
DW-1.zip (115.57 MB)
ARCHIVE
DW-2.zip (207.13 MB)
ARCHIVE
DW-3.zip (168.24 MB)
ARCHIVE
DW-4.zip (114.68 MB)
ARCHIVE
DW-5.zip (62.67 MB)
TEXT
readme.txt (1.96 kB)
1/0
Structural and Electronic Properties of Double Wall MoSTe Nanotubes
dataset
posted on 2023-08-09, 11:21 authored by Zhenyun LanZhenyun Lan, Theresa Isabelle Manguerra Kapunan, Tejs VeggeTejs Vegge, Ivano Eligio CastelliIvano Eligio CastelliThe data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online https://jp-minerals.org/vesta/en/. The related calculated total energy and input set parameters could be seen in the OUTCAR files.
And the band structure pdos can be obtained from vasprun by p4vasp
