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exercises:2018_uzh_cmest:calculation_pbc

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exercises:2018_uzh_cmest:calculation_pbc [2018/09/17 12:52]
127.0.0.1 external edit
exercises:2018_uzh_cmest:calculation_pbc [2018/11/06 09:10] (current)
abussy [Calculations with Periodic Boundary Conditions]
Line 85: Line 85:
         h2o_pbc.inp > "​h2o_pbc_x-${x}.inp"​         h2o_pbc.inp > "​h2o_pbc_x-${x}.inp"​
  
-    cp2k.sopt -i "​h2o_pbc_x-${x}.inp"​ -o "​h2o_pbc_x-${x}.out"​ &+    cp2k.popt -i "​h2o_pbc_x-${x}.inp"​ -o "​h2o_pbc_x-${x}.out"​ &
 done done
  
exercises/2018_uzh_cmest/calculation_pbc.txt ยท Last modified: 2018/11/06 09:10 by abussy