Bash scripts
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generate_inputs_1.sh (NGsBlkXp and BndsRnXp convergence input files)
#!/bin/bash bands='10 20 30 40' blocks='1 2 3 4 5' for i in ${bands} do for j in ${blocks} do sed -e "s/1 | 10/1 | $i/g" gw_ppa.in > tmp$i sed -e "s/NGsBlkXp= 1/ NGsBlkXp= $j/g" tmp$i > gw_ppa_$i'b_'$j'Ry.in' rm tmp* done done
generate_inputs_2.sh (Gbnd convergence input files)
#!/bin/bash bands='10 20 30 40 50 60 70 80' for i in ${bands} do sed -e "s/1 | 40/1 | $i/g" gw_ppa_30b_3Ry.in > gw_ppa_Gbnd$i'.in' done