# Q. How do I fix certain atoms during DFT calculation?

**URL:** <https://community.materialssquare.com/t/q-how-do-i-fix-certain-atoms-during-dft-calculation/486>\
**Category:** MatSQ FAQ\
**Tags:** faq, quantum-espresso\
**Created:** [July 17, 2024, 7:27am UTC](https://community.materialssquare.com/t/q-how-do-i-fix-certain-atoms-during-dft-calculation/486 "2024-07-17T07:27:00Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![jihee.y](https://avatars.discourse-cdn.com/v4/letter/j/838e76/32.png) [@jihee.y](https://community.materialssquare.com/u/jihee.y)\
**Post date:** [July 17, 2024, 7:27am UTC](https://community.materialssquare.com/t/q-how-do-i-fix-certain-atoms-during-dft-calculation/486/1 "2024-07-17T07:27:00Z")

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A. The QE module gets the structure information from the connected Structure Builder. If you click on the coordinates of atoms in the window that opens by clicking Atom info, the position of the selected atom will be fixed during DFT calculation. You can easily fix an atom by selecting the atom you want to fix in Structure Builder and clicking “selected”.