<html dir="ltr"><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body style="font-size: 10pt; font-family: Arial; background-image: none; background-repeat: repeat; background-attachment: fixed;">thank you dear Laurence for your reply.<br><br>I used these parameters: <br><br>RMT (Mn)=2.20 RMT (Nb)=2.32 RMT (As)=2.25 a.u. <br>RKmax=8<br>k-point=8000 points which lead to 256 special k-points.<br>cut-off energy = -6.5 and 7 Ry<br>mixing factor = default value.<br>and finally i do not use U potential.<br><br></body></html>