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exercises:2014_ethz_mmm:basis_sets

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exercise:basis_sets [2014/03/28 14:56] – [Basis Sets] oschuettexercise:basis_sets [2014/03/28 14:57] – [1.Step] oschuett
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      &END      &END
      POTENTIAL ALL                         ! Specifes that the potential is for all electron calculations.      POTENTIAL ALL                         ! Specifes that the potential is for all electron calculations.
-     &POTENTIAL                            ! Usual all eletcron potential for H +     &POTENTIAL                            ! Usual all electron potential for H 
      1    0    0      1    0    0
      0.20000000    0      0.20000000    0
exercises/2014_ethz_mmm/basis_sets.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1