<div>you can find in INPUT_PW :</div>
<div> 'diis' :  DIIS-like diagonalization - PRESENTLY DISABLED</div>
<div> </div>
<div>regards,</div>
<div>h.p<br><br> </div>
<div><span class="gmail_quote">On 10/18/06, <b class="gmail_sendername">Nguyen Ngoc Ha</b> <<a href="mailto:nguyenhalvt@yahoo.com">nguyenhalvt@yahoo.com</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">  Dear PWscf Users!<br>I used diis diagonalization to calculte singpoint with<br>large cell, but result is a message:
<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>    from iosys : error #         1<br>    diis diagonalization disabled<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>Using cg or david diagonalization are well!
<br>  Please help me the error!<br>  Best regards!<br><br>Nguyen, Ngoc Ha<br>Hanoi University of Education<br>Faculty of Chemistry<br>Department of Physical Chemistry<br>Tel: Office: 04/8330842<br>Home: 04/7681083<br>Mobile: 0912129517
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