Describe the bug
The unit of coordinate in abacus.json is actually Bohr:
|
coordinateArray.JPushBack(tau[j][0]*lat0); |
|
coordinateArray.JPushBack(tau[j][1]*lat0); |
|
coordinateArray.JPushBack(tau[j][2]*lat0); |
However, all doucment states that its unit is Angstrom, includes:
- the header says that
"comment": "Unless otherwise specified, the unit of energy is eV and the unit of length is Angstrom",
- Also in the document related to this item:
|
- `coordinate` - [array(array(double))] The cartesian coordinates of each atom. Unit in Angstrom. |
Expected behavior
The output should be in unit of Angstrom. (or the related document should be corrected)
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
Describe the bug
The unit of
coordinateinabacus.jsonis actually Bohr:abacus-develop/source/source_io/module_json/output_info.cpp
Lines 101 to 103 in 5451b70
However, all doucment states that its unit is Angstrom, includes:
"comment": "Unless otherwise specified, the unit of energy is eV and the unit of length is Angstrom",abacus-develop/docs/advanced/json/json_para.md
Line 53 in 5451b70
Expected behavior
The output should be in unit of Angstrom. (or the related document should be corrected)
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)