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how does init_surf link the lattice parameters obtained from init_bulk #1611

@wangsl613

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@wangsl613

Summary

how does init_surf link the lattice parameters obtained from init_bulk

DP-GEN Version

0.10.6

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No response

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Dear DPGEN Developer,

I have used init_bulk to generate PtNi-bulk with different compositions and obtained the lattice parameters for different compositions through structural optimization. Now, I want to use init_surf to get the surface structures of different compositions and different crystal planes. How can I link the lattice parameters obtained from init_bulk for different compositions? Since init_surf only allows the input of one set of lattice parameters. Or, do I need to calculate the lattice parameters again for different crystal planes using init_surf? I am eagerly awaiting your reply.

Best regards.

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