> http://www.home.uni-osnabrueck.de/apostnik/Lectures/SIESTA-tuto.pdf
Dear Andrei, You said in your SIESTA-tuto that the frozen phonon calculations usually proceed after CG relaxation. Is that means we should first set "MD.TypeOfRun CG" to relax and then change it to "MD.TypeOfRun FC" with "UseSaveData T" and "MD. UseSaveXV T" to calculate the force constants? Thank you very much! Best wishes, Zhongli -- PhD. student of IAMP, Sichuan University, China E-mail: zl.liu.c...@gmail.com
