[Pw_forum] A soft phonon at Gamma point

Lijun Zhang lijun_physics at yahoo.com.cn
Sun Feb 5 11:53:49 CET 2006


Dear all, 
  I am doing some calculations on pressure-induced phase transitions. 
  With increasing pressures, It is found that a mode softens exactly at Gamma
  point.(higher pressure, more negative value) Does it represent a phonon instability or an elastic instability?  
  Thank you in advance.
   
  Lijun Zhang
   

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