[Wien] runsp_lapw following afm_lapw

Wenmei iphyboy at yahoo.com.cn
Wed Feb 13 07:58:34 CET 2008


Dear Wien2k users,
      
     recently, I have done some AFM calculations, but I have somewhat confused 
  by the recommedation below from the  Wien2k userguide
   " It is recommended that you save your work(lapw_save) and check the results by continuing with a regular runsp_lapw. If nothing changes(E-tot and other properties),then you are ok."
    why E-tot and other properties should not change by continuting a regular runsp_lapw? if it is truely so, will it be conclude that the final converged result has dependence of the initial given condition, not uniquely determined???
   
  Any suggestion will be greatly appreciated! 
   
  Best regards,
  Iphyboy

       
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