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BEGIN {
Bohr2Angs = 0.529177;
}
/0ENDPOINTS/ {
getline; getline;
o[0] = $1 * Bohr2Angs;
o[1] = $2 * Bohr2Angs;
o[2] = $3 * Bohr2Angs;
getline;
for(j=0; j<2; j++) {
for(i=0; i<3; i++)
v[j,i] = $(i+1) * Bohr2Angs - o[i];
getline;
}
}
END {
#
# WARNING: WIEN is writing grid as (den(i,j),j=1,ny),i=1,nx, BUT
# XCrySDen is reading it as (den(i,j),i=1,nx),j=1,ny
# FIXING: interchange vec-X with vec-Y and interchange nx with ny
#
printf "%f %f %f\n", o[0], o[1], o[2];
printf "%f %f %f\n", v[1,0], v[1,1], v[1,2];
printf "%f %f %f\n", v[0,0], v[0,1], v[0,2];
}
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