Strontium
version 1
  • Sr param
  • Sr OPIUM report file
  • Sr psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (fcc):
    • Sr abinit infile
    Sr abinit outfile
    Sr Energy vs. Volume Plot
    Experimental Lattice Constant: 6.08 Å
    Lattice Constant Error:-4.873 %
    Experimental Bulk Modulus: 0.1395 N/m2
    Bulk Modulus Error: 20.33 %

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