Replies: 1 comment
-
Documentation: https://docs.deepmodeling.com/projects/dpgen/en/latest/run/param.html#run-jdata-fp-style-pwscf The README also mentions the pwscf. |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
-
The main paper of DP-Gen : https://linkinghub.elsevier.com/retrieve/pii/S001046552030045X, says that the labelling can be done with Quantum Espresso but in the documentation of DP-Gen: There are only vasp, gaussina, deepmd, fpop_abacus and fpop_cp2k available.
How can I select qe or quantum espresso for my labelling task as we have to buy VASP but quantum espresso is an open software package.
Can anyone help me with the input script for running DP-GEN with Quantum Espresso?
Beta Was this translation helpful? Give feedback.
All reactions