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- #!/bin/csh -f
- set shift="-1 2 "
- foreach d ($shift)
- @ z = $d * "0.2224"
- awk -v k=$d 'FNR==3{$1+=4*k;}1' Lat | cat >>head
- awk -v k=$d '{$2+=k;}1' f1 | cat >>g1
- awk -v k=$d '{$2+=3*k;}1' f2 | cat >>g2
- cat head g1 g2 > POSCAR-$z
- rm head
- rm g1
- rm g2
- set d = 2
- set result = `echo "$d * 0.2224" | bc`
- echo $result
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