Dear Sophia,<br> <br> You didn't mention any value about ecutrho.I surpose that you have the default value (4 * ecutwfc
) which is enough for a good calculation. I can get more imformation from the directory '/Doc/input_pw' contained in QE file.The suggested value is about 8-10 times as the ecutwfc.<br> <br> Hope this might help!<br>
<br> Cheers.<br><br>