[Pw_forum] Question on supercell calculation of MgB2

张 洪彬 leoant21 at hotmail.com
Wed Sep 28 02:56:47 CEST 2005

Dear all:
  Now I am doing a 2*2 supercell calculation of MgB2, however, there is a 
warning like this:

Warning: ef = 1.818386 is above the highest band at k-point 490
         e  = 1.780277

and there are also warning on other k-points, but not all. Please tell me 
why. Thank you.


免费下载 MSN Explorer:   http://explorer.msn.com/lccn  

More information about the users mailing list