# How to analyze results ## How to check the status of a calculation/workflow? * Using `verdi process status `: this will display a tree-like diagram containing the called processes. * For a `VaspCalculation`, one can use `verdi calcjob ` commands to show its info, commonly used sub-commands are: * `inputls`: List the input files. * `inputcat`: Print an input file. The name of the file needs to be passed following the pk, if no default calculation input file is defined (default is `INCAR`). The submission script can be displayed by passing `_aiidasubmit.sh`. * `outputls`: List the output files. * `outputcat`: Same as `inputcat` but print an output file instead. The default output is `OUTCAR`. * `remotecat`: Same a `outputcat` but can be used for running calculations. * `gotocomputer`: This command will take the current shell to the running folder of submitted calculation, which is very useful for inspecting running calculation/check the correctness of the input files and the submission script. * `res`: Print the results of a calculation to the screen. This will display the `misc` output of a `VaspCalculation`. * `cleanworkdir`: Clean the working directly of a calculation. :::{note} The `verdi calcjob` command is inspecting a `Calculation`. A workflow may launch many calculation. In this case, one can use `verdi process status` to find the *pk* of calculations that have been launched. ::: * Finished workflows can be *dumped* to the disk using `verdi process dump` command. This will create a multi-level directory containing the launched processes. * This plugin provides a command `aiida-vasp tools export` which can be used to export completed calculations and workchains. The output if similar to `verdi process dump` with some differences: * The input and output files of `VaspCalculation`s are collected into a single folder, mimicking normal VASP calculations. * A `--include-potcar` option can be passed so the `POTCAR` file of each calculation is re-created. This is not the case when using `verdi process dump`, since the exact `POTCAR` content is not included in the provenance graph in order for the data to be sharable (for licensing reasons). ## How to obtain forces and stress of each ionic step By default, only the forces, stress and energies of the last ionic step are stored in the `misc` output. If you want those for each ionic step, you can modify the parser to enable the output `trajectory` node: ```python from aiida.orm import WorkflowFactory VaspWorkChain = WorkflowFactory('vasp.vasp') builder = VaspWorkChain.get_builder() settings ={'parser_settings': {'include_node': ['trajectory']}} builder.settings = settings ```