[QE-users] How I can fix some atoms in phonon calculation?

[ykhuang at dicp.ac.cn]

Greetings, QE users,
Recently I plan to perform absorption free energy calculation and frequency analysis on CO molecule that absorbed on slab. 
However, there're 80 atoms in total (including slab atoms), which means a quite large calculation comparing to examples provided. The vibration information of slab is unnecessary, but it will take quite long time to finish the whole process. 
I remember that in VASP, frequency calculation can run with some atom fixed. I have read the input description of ph.x but failed to find command lines about how to fix some atoms.
Could someone give me some suggestions on how I can fix some atoms in phonon calculation, or, how I can simplify the calculation?


Any suggestion will be appreciated.


Yike Huang, PhD candidate.
Dalian Institute of Chemical Physics.

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