1#!/bin/bash
2
3LD1=../../../bin/ld1.x
4workd=./results/
5
6mkdir -p $workd
7
8for atom in ne ar kr; do
9for xc in sla-noc sla-pz sla-gl; do
10
11$LD1 < $atom.$xc.in > $atom.$xc.out
12mv $atom.$xc.out $workd
13mv freq-pol.dat $workd/$atom.$xc.freq-pol.dat
14mv freq-pol-dft.dat $workd/$atom.$xc.freq-pol-dft.dat
15rm -f ld1.*
16done
17done
18
19
20cd  $workd
21
22neref=6.98
23arref=66.1
24krref=130.7
25
26(
27echo "    reference       sla-gl                 sla-noc                slc-pz"
28echo "                 tfvw   full            tfvw   full            tfvw   full"
29
30echo -n "ne    $neref "
31grep -e 'coeff' ne.* | awk '{gl=$7; getline; gl_full=$7; getline ;\
32                             noc=$7;getline; noc_full=$7; getline ; \
33                             pz=$7; getline; pz_full=$7; \
34            print " ", gl," ",gl_full"   ",noc," ",noc_full"   ",pz," ",pz_full}'
35
36echo -n "ar   $arref "
37grep -e 'coeff' ar.* | awk '{gl=$7; getline; gl_full=$7; getline ;\
38                             noc=$7;getline; noc_full=$7; getline ; \
39                             pz=$7; getline; pz_full=$7; \
40            print " ", gl,"",gl_full"  ",noc,"",noc_full "  ",pz,"",pz_full}'
41
42echo -n "kr  $krref "
43grep -e 'coeff' kr.* | awk '{gl=$7; getline; gl_full=$7; getline ;\
44                             noc=$7;getline; noc_full=$7; getline ; \
45                             pz=$7; getline; pz_full=$7; \
46            print "", gl,gl_full" ",noc,noc_full " ",pz,pz_full}'
47) > compare.dat
48
49