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Copy file name to clipboardExpand all lines: examples/silicon/make_input/README.md
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@@ -7,9 +7,9 @@ This tutorial is suitable for outputs from Quantum ESPRESSO.
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Three files are needed to run this script to generate input file for `qha` script:
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1.`filelist.yaml` file
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* the descrption of the system in `comment` key: a string,
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* the description of the system in `comment` key: a string,
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* the number of formula unit in `formula_unit_number` key: an integer,
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* A YAML list of files containing frequenices`*.freq` in `frequency_files` key: a YAML list of strings.
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* A YAML list of files containing frequencies`*.freq` in `frequency_files` key: a YAML list of strings.
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If you have trouble writing YAML, please refer to its syntax [here](http://docs.ansible.com/ansible/latest/reference_appendices/YAMLSyntax.html).
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@@ -25,5 +25,5 @@ After preparing those three files, just run
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$ qha-convert filelist.yaml static q_points
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```
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and if there was already an input, it will be backuped. The names of these three files can be arbitray but currently the order of `qha-convert` cannot be changed.
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and if there was already an input, it will be backuped. The names of these three files can be arbitrary but currently the order of `qha-convert` cannot be changed.
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