mirror of https://gitlab.com/QEF/q-e.git
27 lines
575 B
Bash
Executable File
27 lines
575 B
Bash
Executable File
#!/bin/bash
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####################################################################
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#
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# set the needed environment variables
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#
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. ../environment_variables
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#
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# IFC name w/o extenstion
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FC_name='Fe_AFM'
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# Specify atomic masses in the same order as in ph.in file
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cat > Atomic_mass <<EOF
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amass(1)=55.845,
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amass(2)=55.845
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EOF
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# Label for Y (Frequency) axis: THz, cm, or meV
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freq=Thz
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# Check whether IFC file exists
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if [ ! -f $FC_name.fc ]; then
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echo 'You have no IFC file' $FC_name.fc 'in this directory.'
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echo 'Please find it and copy to this directory'
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exit
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fi
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