[Wien] Polarized spin calculation

ben amara imen imen.benamara5 at gmail.com
Fri Apr 12 16:56:49 CEST 2013


   Hello !


I started to do  the Initilization calculation chosing the spin up.

At the step " "check if gmin<gmax"" , I have  cliked on xdstart up and  i
have chosen the No antiferrommgantic calulations .But when I run  the SCF
calculation, an error in Lapw1 is shown !!!

 My questions are : 1) the steps which  I have do are right??
                              2) what and where is the problem  ??


Can someone helps me please!
Best Regards
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