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Auxiliary tools · Changes

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Update Auxiliary tools authored Jun 25, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Auxiliary-tools.md
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......@@ -101,12 +101,18 @@ Usage: ./dpca2wdata-hard prefix
# st-wslda related tools
## wdata2checkpoint
*Purpose*: Converts W-DATA results into checkpoint file than can be used as starting point for self-consistent process.
*Purpose*: Converts W-DATA results into a checkpoint file that can be used as starting point for the self-consistent process.
```bash
Usage: ./wdata2checkpoint file.wtxt outprefix
or
Usage: ./wdata2checkpoint file.wtxt outprefix cycleid
or
Usage: ./wdata2checkpoint file.wtxt outprefix cycleid ec
or
Usage: ./wdata2checkpoint file.wtxt outprefix cycleid ec temperature
file.wtxt - metadata file
outprefix - checkpoint will be written to outprefix
cycleid - use given cycleid to create checkpoint file, default: cycleid=last cycle
ec - absolute value, default: ec=pi^2/(2*dx^2)
temperature - in eF units, default: temperature=0
```
\ No newline at end of file
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