<div dir="auto">This is printed by mixer when it detects that there is something wrong with the *broyd* files, and/or some other input densities/potentials. It normally occurs when you do something like a normal calculation then switch to +U without deleting the prior history. Without more information I cannot trace it exactly. Look to see if all the formatted files are there, and have no NaN. Sometimes sub-programs crash but the cycle keeps going.<div dir="auto"><br></div><div dir="auto">Maybe do "rm *broy* " and try again.<br><div dir="auto"><br></div><div dir="auto">N.B., convergence will be very slow as you are doing unsafe Pratt mixing.<br><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div></div></div><br><div class="gmail_quote"><div dir="ltr">On Wed, Jan 2, 2019, 15:46 foyevtsova <<a href="mailto:foyevtsova@phas.ubc.ca">foyevtsova@phas.ubc.ca</a> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear wien2k community,<br>
<br>
I am getting an<br>
<br>
":WARN :  ERROR in reading files, restarted"<br>
<br>
in case.scf and case.scfm, while the scf cycle itself is not interrupted <br>
and all .error files are empty. The convergence, however, is extremely <br>
slow.<br>
<br>
I've noticed that this happens when I have La atoms in the unit cell and <br>
do a spin-polarized calculation, though this might be a coincidence.<br>
<br>
The version used is WIEN2k_18.2 (Release 17/7/2018).<br>
<br>
Thank you,<br>
Kateryna<br>
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