How to create random double point vacancy at any percentage in the structure?
I can produce single point vacancy at any percentage in the structure through Atomsk software.
Help me to get rid of this problem!!!
Can you be more specific and explain what you mean by that?
Have you asked the Atomsk developers about your double point vacancy? If you are familiar with it, why not keep using it.
Compared to other system creation or input pre-preprocessing software, LAMMPS doing complex processes in creating or modifying the system, is particularly complex. LAMMPS doesn’t have a powerful scripting language. You may be able to figure something out by using the python interface. But then again, it is probably easier to just write a custom python script to do a suitable modification yourself. The file formats that LAMMPS reads and writes are well documented. With dump style yaml, you can also create a file that can be parsed by pandas or pyaml.
create missing atoms intentionally in the structure which are random completely. Double point vacancy= At every point there will be two atoms missing. Atomsk have its own documentation book but there is nothing mentioned regarding this.
To produce a python code for this require so much time and a lot of trial and error process. But I have to do it as soon as possible.
I don’t know of any read-to-use solution for this, and unless you get extremely lucky, you will have to sort it out by yourself. It is not very likely that somebody will spend their free time doing other people’s work.
Or to put differently:
There ain’t no escape from the blues!
If you need the proper soundtrack, I can recommend this podcast: Nothing But The Blues
There are now over 850 episodes of 1 hour each and no track is repeated.