mirror of https://gitlab.com/QEF/q-e.git
34 lines
1014 B
Bash
Executable File
34 lines
1014 B
Bash
Executable File
#!/bin/bash
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#
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# The following PPs are not on the web and are not removed
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tobesaved="HUSPBE.RRKJ3 \
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O_US.van H_US.van \
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Rh.pbe-rrkjus_lb.UPF \
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Rhs.pbe-rrkjus_lb.UPF \
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Si.bhs \
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Au.pz-rrkjus_aewfc.UPF\
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C.UPF C_3.98148.UPF \
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pb_s.UPF \
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Si_r.upf \
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C-q4.gth O-q6.gth H-q1.gth \
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B-PBE.upf N-PBE.upf Fe.pz-n-nc.UPF "
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#
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# REASON:
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# HUSPBE.RRKJ3, O_US.van, H_US.van, Si.bhs, C.UPF : old formats
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# Au.pz-rrkjus_aewfc.UPF : contains all-electron wavefunctions
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# Rh.pbe-rrkjus_lb.UPF, Rhs.pbe-rrkjus_lb.UPF : core-hole PPs
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# C_3.98148.UPF : B-C VCA pseudopotential, for slightly B-doped C systems
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# pb_s.UPF Si_r.upf : fully relativistic
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# C-q4.gth O-q6.gth H-q1.gth : GTH format
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# Fe.pz-n-nc.UPF : used in test-suite/tddfpt_magnon_fe (should be replaced)
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# B-PBE.upf N-PBE.upf used in test-suite/ph_2d (should be replaced)
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mkdir .save
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mv $tobesaved .save
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/bin/rm *.UPF *.upf >& /dev/null
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mv .save/* .
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rmdir .save
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