QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: xylx9497 on March 15, 2023, 07:27

Title: How to compare the qmtp potential with my mtp potential
Post by: xylx9497 on March 15, 2023, 07:27

Dear Sir/Madam,
          I've trained my MTP of IGZO. Also I've found the 2022-U version contained IGZO MTP. But the IGZO MTP contained is MTP_IGZO_small.qmtp. Could you help me with the comparision between my MTP and the contained MTP. The *.qmtp seems to be unrecognized. Thanks a lot for your help.

Title: Re: How to compare the qmtp potential with my mtp potential
Post by: Anders Blom on March 17, 2023, 20:28

What specifically do you mean by "unrecognized"? If you share the exact input and output of your QuantumATK script it will be a lot easier to figure out how to solve this.

If you want to run a small test with the built-in potential, the attached scripts works in U-2022.12 provided you have an updated license file. I set it up very easily using the GUI.