Author Topic: Use of a user specified norm conserving pseudopotentials in the calculations  (Read 9364 times)

0 Members and 1 Guest are viewing this topic.

Offline zhangguangping

  • QuantumATK Guru
  • ****
  • Posts: 193
  • Country: cn
  • Reputation: 2
    • View Profile
Dear Daniele,

Can ATK use the *psf format PPs? SIESTA use *psf format.

As far as I know, the code atom can generate PPs of *psf format not the *upf format that is why I use APE to generate the PPs.

If you have a revised version of atom code, would you like to send me a copy?

With best regards,

Guangping Zhang

Offline Daniele Stradi

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 286
  • Country: dk
  • Reputation: 3
    • View Profile
Dear Guangping,

yes, ATK can read *.pdf format.

Daniele