Author Topic: MTP initial training set  (Read 26 times)

0 Members and 1 Guest are viewing this topic.

Offline korandofficial

  • New ATK user
  • *
  • Posts: 2
  • Country: us
  • Reputation: 0
    • View Profile
MTP initial training set
« on: June 24, 2022, 21:34 »
Hi dear ATK technicians,

I am trying to use mtp to generate potential of Bi2Se3. Should I use initial training sets from database from those have similar chemical compounds (i.e. Bi2Se3) or other compounds of Bi and Se like Bi8Se9 are acceptable?

Also, how many initial training set is enough for accurate result?

Thanks in advance