[Pw_forum] fix lattice constant
y wang
wyxpwscf at yahoo.com
Mon Feb 6 07:26:05 CET 2006
Dear all,
I want to calculate the strained PbTiO3. How to perform a relaxation with only fixed lattice constant a?
In other words, lattice constant a is fixed; c and atomic position will be optimized.
How to set parameters in input file?
Best
Wang Y X
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