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**General Questions and Answers / Introduce strain**

« **on:**January 15, 2023, 14:08 »

I want to introduce strain to (1-D nanoribbon). I have read past discussion on strain in the forum and i get a little confused. I need help from expertise. Is this how strain is introduced ? (here i attach picture of before and after strain). Can expertise correct me if i do it wrong way.

From bulk tools:

-> lattice parameters (lattice type in "unit cell" and i keep "fractional coordinates")

-> repeat (i repeat along C-axes)

->stretch cell (i select all atom, and i did strain in A-axes by "moved" it ). Here i did strain 1%.

Do i need to include together optimize geometry under bulk calculation ?

Really appreciate anyone reply to this. Thank you.

From bulk tools:

-> lattice parameters (lattice type in "unit cell" and i keep "fractional coordinates")

-> repeat (i repeat along C-axes)

->stretch cell (i select all atom, and i did strain in A-axes by "moved" it ). Here i did strain 1%.

Do i need to include together optimize geometry under bulk calculation ?

Really appreciate anyone reply to this. Thank you.