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Modify User_manual
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ishimura committed Jul 28, 2021
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Sample input and output
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Sample input and output files are included in the example/ directory.
Sample input and output files are included in the example directory.


How to run SMASH
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threshdfock=1.0E-4, threshdftao=1.0E-2, nrad=72, nleb=302

spher specifies spherical harmonics or Cartesian basis functions.
= .true. Speherical harmonics (5d, 7f, 9g, default)
= .false. Cartesian (6d, 10f, 15g)
= .true. Speherical harmonics (5d, 7f, 9g, 11h, 13i, default)
= .false. Cartesian (6d, 10f, 15g, 21h, 28i)

guess specifies the guess calculation.
= huckel extended Huckel calculation (default)
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