<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div>Dear users<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: "Arial"; background-color: transparent; font-style: normal;">When I make structure file for QE calculation I convert cif file to XYZ format and take the atomic positions from there but these atomic positions are not look to be in angstrom. for example some atomic positions of amino acid. The correct atomic positions of first C atom are 0.442, 0.612, 0.803 (Ang) .
Can I use these positions?
</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: "Arial"; background-color: transparent; font-style: normal;"> ATOMIC_POSITIONS {?}<br>C 11.861079793 2.966803800 8.127280110<br>O 12.509781978 3.985469800 7.796265486<br>O 11.516617567 2.651456000 9.302285237<br>C 11.377184932 2.032458000 7.026801667<br>H 11.452545578 1.096162600 7.340394469<br>N 12.229684621 2.211333800 5.820824411<br>H 13.094780045 2.076324000 6.097637810<br>H 12.186990774 3.124234000 5.410443708<br>H 11.963240449 1.545058000 5.294298226</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: "Arial"; background-color: transparent; font-style: normal;">...........</div></div></body></html>