phono3py-load command#

After phono3py v2.3.2, phono3py-load command is installed. This behaves similarly to phono3py.load (phono3py.load) in the phono3py python module. The main aim of introducing this command is to provide uniform usage over many different force calculators. Once phono3py_disp.yaml is created, the following operations will be the same using this command.

This is used almost in the same way as phono3py command, e.g., but there are some differences. The following default behaviours are different from that of those of phono3py command:

phono3py_xxx.yaml type file is always necessary in either of two ways:
- phono3py_xxx.yaml type file is given as the first argument of the command, e.g.,
```
% phono3py-load phono3py_xxx.yaml --br --ts 300 --mesh 50
```
- With first argument unspecified, phono3py_disp.yaml or phono3py.yaml file is read if it is found in the current directory. If both found, phono3py_disp.yaml is read. For example, having phono3py_disp.yaml under the current directory,
```
% phono3py-load --br --ts 300 --mesh 50
```
-c option (read crystal structure) does not exist.
-d option (create displacements) does not exist. Please use phono3py command.
Phono3py configuration file can be read through --config option. See Use of configuration file.
If parameters for non-analytical term correction (NAC) are found, NAC is automatically enabled. This can be disabled by --nonac option.
When force constants are calculated from displacements and forces dataset, force constants are automatically symmetrized. To disable this, --no-sym-fc option can be used.
-o option works differently from phono3py command. This option requires one argument of string. The string is used as the output yaml filename that replaces the default output yaml filename of phono3py.yaml.