mirror of https://gitlab.com/QEF/q-e.git
29 lines
528 B
Bash
Executable File
29 lines
528 B
Bash
Executable File
#!/bin/bash
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printf " DFT scf ... "
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pw.x -in scf.pwi > scf.pwo
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echo " done"
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printf " DFT nscf ... "
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pw.x -in nscf.pwi > nscf.pwo
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echo " done"
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printf " Wann occ ... "
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cd occ
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wannier90.x -pp wann
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pw2wannier90.x -in pw2wan.p2wi > pw2wan.p2wo
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wannier90.x wann
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echo " done"
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cd ../
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printf " Wann emp ... "
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cd emp
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wannier90.x -pp wann
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pw2wannier90.x -in pw2wan.p2wi > pw2wan.p2wo
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wannier90.x wann
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echo " done"
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cd ../
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./link_wann.sh
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printf " KCW interface ... "
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kcw.x -in kc.w2ki > kc.w2ko
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echo " done"
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