[Pw_forum] phonon calculations

[HaoPan]

Dear developer,

I am using the quantum espresso 4.1.2.  The compiler I used is intel 11.1. I am calculating  the phonon frequency to check the zero energy. The phonon calculations are good for semiconductor and insulator. For some metal it is good, like Al, Ag, etc. For others, like Ba, Cu.  The ph.x runing stay at dyn2 or dyn3 until my required time run out. I don't know is the problem common or not.

 I test it on my pc. It can get all dyn*.  Howerver the result is bad. There are negative frequency arond the equilibrium positon. For different metal I tried different pseudo potentials. Some worked some failed. Some of solids I just can not get the right dispersion.  So hopeful I can get the solution from you. Thanks a lot.

best,
Pan Hao 
Tulane University
 		 	   		  
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