Chromium
version 1
  • Cr param
  • Cr OPIUM report file
  • Cr psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (bcc):
    • Cr infile
    Cr outfile
    Cr Energy vs. Volume Plot
    Experimental Lattice Constant: 2.88 Å
    Lattice Constant Error:1.3924 %
    Volume Error: 3.975%
    Experimental Bulk Modulus: 1.901 N/m2
    Bulk Modulus Error: 13.735%

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