[Pw_forum] Error in polarization calculations

Sergey Lisenkov proffess at yandex.ru
Thu Apr 13 17:02:34 CEST 2006


 Dear All,

  During Berry Phase calculations (3.0 version), I got the error:

.....
==================================================
                            POLARIZATION CALCULATION
                         !!! NOT THOROUGHLY TESTED !!!
               --------------------------------------------------


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  ylm_q : error #  12915072
      not programmed for L>
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

 I use RRKJUS pseudopotentials and one pseudo from opium. What is wrong?

   Thanks,
     Sergey



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