[Wien] About mini_lapw

Hui Wang hwang at imr.ac.cn
Sun May 16 05:15:31 CEST 2010


Dear wien2k master and Stefaan:
    During your last email, you said: The scf cycles stops when there are almost no variations of the forces left
(11.13 to 11.17, much less than the requested -fc 1). I don't understand why 11.3 is much less than -fc 1 ??
    By the way, genrally speaking, for what FGL value should we optimize the structure ? And swate said it can find the optimized structure in case_struct_lastmini, I can't find this file , is it the case.scf_mini file ?
     Thanks:)
 
Hui 

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