[wien]how to set supercell of Cmmm structure for MnF2

[Kejin.Zhou]

Dear Prof.Blaha
  Thank you for your kindly help!
  I have consructed files according to your steps. The symmetry finds only 4 symops not 8. But when i use sgroup to generate Cmmm spacegroup, then it can find 8 symops. I have runsp_lapw both of them and find no difference DOS between THEM.
  For the second question, i mean that what's the difference between runsp_lapw and runafm_lapw. If i have construct a AFM structure and flip the spin of magnetic ions, does runafm_lapw just save 2 factor computer time and there is no difference between runsp_lapw and runafm_lapw? 
 Thank you very much!



Sincerely yours,
Zhou Ke jin

       
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                      Beijing Synchrotron Radiation Facility

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                      22:37:08    2006-04-11 
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