Description
Scale a supplied computed frequency by a positive factor.
Molecular calculations use explicit energy, time, coordinate, spin and basis-function conventions. Spherical orbital degeneracy differs from Cartesian function count, an orbital-energy gap differs from an excitation energy, and a force-displacement energy term is local. Supplied occupations and reference values do not establish a converged electronic state or chemical interpretation.
Scale a supplied computed frequency by a positive factor.
When to use this tool
Use Frequency Scaling Mode Term when you already have computedFrequency, suppliedScaleFactor and need to scale a supplied computed frequency by a positive factor.
How to use the tool and how it works
- Enter computedFrequency, suppliedScaleFactor. Use the units and conventions below.
- Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
- Read scaledFrequency. Use the output convention below.
Require suppliedScaleFactor positive/finite; multiply computedFrequency, retaining its sign.1
| Input field | Meaning and units | Accepted input |
|---|---|---|
| computedFrequency | Computed Frequency | Required. Finite number. |
| suppliedScaleFactor | Supplied Scale Factor | Required. Finite number; strictly above 0. |
| Output field | Interpretation | Returned shape |
|---|---|---|
| scaledFrequency | Scaled Frequency | Required. Finite number. |
{
"input": {
"computedFrequency": 1000,
"suppliedScaleFactor": 0.96
},
"output": {
"scaledFrequency": 960
}
}Limitations and assumptions
- No factor, method/basis suitability, mode identity, anharmonic correction or observed frequency is inferred.
- Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
- Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.
Alternative or Complementary methods
Inspect the full computational method, basis, geometry, reference state and convergence records. Use a complete electronic-structure or dynamics calculation for physical conclusions; local sign, unit and index transformations do not perform that calculation.
References
Similar or alternative tools
- Vibrational Frequency Imaginary Token
Label a supplied nonnegative frequency magnitude as real or imaginary.
- Density Matrix Occupation Diagonal Term
Calculate one supplied density-diagonal occupation contribution.