<commit_before>
Interface script and utilities to run AIMS with CREST.
See file headers for more details and usage.
* Remember to update the absolute paths specified in the "definitions" in the
* beginning of CREST_run_AIMS.sh and aims2crest.sh !!!

<NAME>, 2015
For more info, see:
<NAME>, <NAME>, <NAME>, <NAME>. <NAME> and <NAME>,
Phys. Rev. B (2015)


FILES:
================================
- CREST_run_AIMS.sh
  Main interface script, called via command specified in crest input file.
  Runs FHI-AIMS with given sheet charge, extracts results and saves in
  CREST-readable format.

- aims2crest.sh
  Called by CREST_run_AIMS.sh. Extracts FHI-AIMS output and saves in
  CREST-readable format.

- sevcleanup.py
  Called by aims2crest.sh. Cleans up the electrostatic energy file.
<commit_msg>Update README.txt<commit_after>
Interface script and utilities to run AIMS with CREST.
See file headers for more details and usage.
* Remember to update the absolute paths specified in the "definitions" in the
* beginning of CREST_run_AIMS.sh and aims2crest.sh !!!

<NAME>, 2015
For more info, see:
<NAME>, <NAME>, <NAME>, <NAME>. <NAME> and <NAME>,
Phys. Rev. B 91, 075311 (2015)


FILES:
================================
- CREST_run_AIMS.sh
  Main interface script, called via command specified in crest input file.
  Runs FHI-AIMS with given sheet charge, extracts results and saves in
  CREST-readable format.

- aims2crest.sh
  Called by CREST_run_AIMS.sh. Extracts FHI-AIMS output and saves in
  CREST-readable format.

- sevcleanup.py
  Called by aims2crest.sh. Cleans up the electrostatic energy file.

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