exercises:2014_ethz_mmm:single_point_calculation
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
exercise:single_point_calculation [2014/02/21 11:27] – [Part II: Computation of the LJ energy curve] oschuett | exercise:single_point_calculation [2014/02/21 14:06] – oschuett | ||
---|---|---|---|
Line 91: | Line 91: | ||
This is the energy (in Hartree) for a system of 2 Ar atoms at distance $ r=3.00 Å$ | This is the energy (in Hartree) for a system of 2 Ar atoms at distance $ r=3.00 Å$ | ||
+ | |||
+ | Note, that in the input-file '' | ||
===== Part II: Computation of the LJ energy curve ===== | ===== Part II: Computation of the LJ energy curve ===== |
exercises/2014_ethz_mmm/single_point_calculation.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1