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exercises:2014_ethz_mmm:hfx_h2ion

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exercise:hfx_h2ion [2014/04/10 15:02] oschuettexercise:hfx_h2ion [2014/04/10 15:06] oschuett
Line 33: Line 33:
       &OT       &OT
         PRECONDITIONER FULL_ALL         PRECONDITIONER FULL_ALL
-      &END +      &END OT 
-    &END+    &END SCF
          
     CHARGE 1             ! H2 cation is positively charged...     CHARGE 1             ! H2 cation is positively charged...
exercises/2014_ethz_mmm/hfx_h2ion.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1