UnitConversion

This command (rsgrad uc) converts input quantity to units representing same energy.

Metric prefixes are supported, from Atto(a, 10-18) to Exa(E, 1018).

Here are supported prefixes and corresponding acronyms:

Metric prefixAcronymBase 10
attoa10-18
femtof10-15
picop10-12
nanon10-9
microμ10-6
millim10-3
----100
KiloK103
MegaM106
GigaG109
TeraT1012
PetaP1015
exaE1018

If you use acronyms, note that prefixes smaller than 1 (from a, atto to m, micro) must be lowercased whereas the prefixes lager than 1 (from K, Kilo to E, Exa) must be uppercased.

Supported units:

UnitSymbol
HartreeHa
Wavenumbercm-1
Temperature(Kelvin)K
Calorie per moleCal/mol
Joule per moleJ/mol
Wavelengthm
Periods
Electron volteV
FrequencyHz

Help Message

$ rsgrad uc
Conversion between various energy units

Usage: rsgrad uc [INPUT]...

Arguments:
  [INPUT]...  Input energy quantity to be converted. Multiple input are supported

Options:
  -h, --help  Print help

Try `rsgrad uc 298K` to see what happens.

Examples

$ rsgrad uc 298K
==================== Processing input "298K" ====================
  298.000000 K ==   943.709369 μHa
  298.000000 K ==   207.125149 cm-1
  298.000000 K ==   298.000000 K
  298.000000 K ==   592.202785 Cal/mol
  298.000000 K ==     2.477776 KJ/mol
  298.000000 K ==    48.281101 μm
  298.000000 K ==   161.048425 fs
  298.000000 K ==    25.679653 meV
  298.000000 K ==     6.209312 THz
================================================================================

[2024-09-11T07:21:07Z INFO  rsgrad] Time used: 470.398µs

You can also input multiple quantities at a time

$ rsgrad uc 298K 25meV 300THz
==================== Processing input "298K" ====================
  298.000000 K ==   161.048425 fs
  298.000000 K ==   207.125149 cm-1
  298.000000 K ==     2.477776 KJ/mol
  298.000000 K ==    25.679653 meV
  298.000000 K ==    48.281101 μm
  298.000000 K ==   943.709369 μHa
  298.000000 K ==   592.202785 Cal/mol
  298.000000 K ==     6.209312 THz
  298.000000 K ==   298.000000 K
================================================================================

==================== Processing input "25meV" ====================
   25.000000 meV ==   165.426708 fs
   25.000000 meV ==   201.643250 cm-1
   25.000000 meV ==     2.412198 KJ/mol
   25.000000 meV ==    25.000000 meV
   25.000000 meV ==    49.593677 μm
   25.000000 meV ==   918.732590 μHa
   25.000000 meV ==   576.529191 Cal/mol
   25.000000 meV ==     6.044973 THz
   25.000000 meV ==   290.112953 K
================================================================================

==================== Processing input "300THz" ====================
  300.000000 THz ==     3.333333 fs
  300.000000 THz ==    10.007154 Kcm-1
  300.000000 THz ==   119.712599 KJ/mol
  300.000000 THz ==     1.240700 eV
  300.000000 THz ==   999.308150 nm
  300.000000 THz ==    45.594872 mHa
  300.000000 THz ==    28.611998 KCal/mol
  300.000000 THz ==   300.000000 THz
  300.000000 THz ==    14.397729 KK
================================================================================

[2024-09-11T07:27:53Z INFO  rsgrad] Time used: 544.171µs