[Wien] Regarding Relaxation calculation
Shamim Sk
shamimsk20 at gmail.com
Wed May 29 13:12:59 CEST 2019
Dear Prof. P. Blaha & WIEN2k Community,
In relaxation calculation using "run_lapw -min -fc 0.5 -ec 0.0001 -cc
0.001" , is it possible to keep the positions of some of the atoms in the
supercell fixed ?
Thank you,
Shamim Sk
IIT Mandi, HP, India.
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