Carlier Group Gaussian User Manual - Virginia Tech

58
Carlier Group Gaussian User Manual
at_symbol[17]="Cl"
at_symbol[18]="Ar"
at_symbol[19]="K"
at_symbol[20]="Ca"
at_symbol[21]="Sc"
at_symbol[22]="Ti"
at_symbol[23]="V"
at_symbol[24]="Cr"
at_symbol[25]="Mn"
at_symbol[26]="Fe"
at_symbol[27]="Co"
at_symbol[28]="Ni"
at_symbol[29]="Cu"
at_symbol[30]="Zn"
at_symbol[31]="Ga"
at_symbol[32]="Ge"
at_symbol[33]="As"
at_symbol[34]="Se"
at_symbol[35]="Br"
at_symbol[36]="Kr"
at_symbol[46]="Pd"
at_symbol[47]="Ag"
at_symbol[48]="Cd"
at_symbol[50]="Sn"
at_symbol[51]="Sb"
at_symbol[53]="I"
at_symbol[54]="Xe"
at_symbol[64]="Pt"
at_symbol[65]="Au"
at_symbol[66]="Hg"
at_symbol[67]="Tl"
at_symbol[68]="Pb"
at_symbol[69]="Bi"
}
{
if ($1=="Standard" && $2=="orientation:") {
getline
getline
getline
getline
getline
i=0
while (NF!=1) {
i++
at[i]=$2
if (NF==5) {
x[i]=$3
y[i]=$4
z[i]=$5
}
else {
x[i]=$4
y[i]=$5
z[i]=$6
}
getline
}
}