Bash scripts: Difference between revisions
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do | do | ||
sed -e "s/ETStpsXd= 100/ETStpsXd=$i/g" gw_ff.in > gw_ff$i'.in' | sed -e "s/ETStpsXd= 100/ETStpsXd=$i/g" gw_ff.in > gw_ff$i'.in' | ||
done | |||
done | |||
== Links == | == Links == | ||
* [[Tutorials|Back to tutorials menu]] | * [[Tutorials|Back to tutorials menu]] | ||
* [[How to obtain the quasi-particle band structure of a bulk material: h-BN | Back to How to obtain the quasiparticle band structure of a bulk material: h-BN ]] | * [[How to obtain the quasi-particle band structure of a bulk material: h-BN | Back to How to obtain the quasiparticle band structure of a bulk material: h-BN ]] |
Revision as of 14:08, 20 April 2017
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
generate_inputs_23.sh (Real axis convergence input files)
#!/bin/bash bands='10 20 50 100 150 200 250' for i in ${bands} do sed -e "s/ETStpsXd= 100/ETStpsXd=$i/g" gw_ff.in > gw_ff$i'.in' done