Respected Prof. P. Blaha Sir and All wien2k users, <br> <blockquote class="gmail_quote"> Wish you all a very happy new year 2013.<br>From last three days I am facing two issues with LSDA+U calculation on rare earth compounds.<br>
First one is with scf calculation I found flowing warning<br><pre><font>on sanjay-laptop with PID 6198
using WIEN2k_11.1 (Release 5/4/2011) in /home/sanjay/WIEN2K
start (Wed Jan 2 15:30:46 IST 2013) with lapw0 (40/99 to go)
cycle 1 (Wed Jan 2 15:30:46 IST 2013) (40/99 to go)
> lapw0 (15:30:46) WARNING: The EFG-MATRIX is a NULLMATRIX !
<span style="background-color:rgb(255,255,0)"> WARNING: The EFG-MATRIX is a NULLMATRIX !</span>
1.2u 0.0s 0:01.27 100.7% 0+0k 0+832io 0pf+0w
<br>Second error found when i tried for optimization<br></font></pre><font><span style="background-color:rgb(255,0,0)"><span style="color:rgb(255,255,51)">Error in LAPW1<br> 'SELECT' - no energy limits found for L= 0 <br>
'SELECT' - E-bottom -200.00000 E-top -200.00000 </span> <br></span><br><br>Can anybody comment on this issues.<br><br><br><br>Regards,<br>Sanjay</font></blockquote><br>-- <br><blockquote style="margin:0 0 0 40px;border:none;padding:0px">
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