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
                                          
_________________________________________________________________
????????????????
http://cn.bing.com/search?q=%E5%A4%A9%E6%B0%94%E9%A2%84%E6%8A%A5&form=MICHJ2
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/20100715/8076e98c/attachment.htm
 

Reply via email to