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exercises:2017_uzh_cp2k-tutorial:hybrid

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exercises:2017_uzh_cp2k-tutorial:hybrid [2017/07/12 10:13] gtocciexercises:2017_uzh_cp2k-tutorial:hybrid [2017/07/12 12:48] gtocci
Line 379: Line 379:
  
     ! Charge and multiplicity     ! Charge and multiplicity
-    CHARGE 0 +    CHARGE 1 
-    MULTIPLICITY 1+    MULTIPLICITY 2
  
     &MGRID     &MGRID
exercises/2017_uzh_cp2k-tutorial/hybrid.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1