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Dear Yang,
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<div class="">Thanks for reporting the issue. This error just means there is a problem with the Hamiltonian of your system when you add Environ, which would suggest some of the additional terms are not as they should. There are several different ways this problem
can happen, it is impossible to track down the source without knowing more details about your pw and Environ input files. </div>
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<div class="">If the problem is with the environment (i.e. the same calculation without Environ converges fine), I would suggest you go through the FAQ on the website, where some common sources of convergence errors are reported. In particular, ecutwfc and
conv_thr would not help Environ, but ecutrho and environ_thr would. </div>
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<div class=""><a href="https://environ.readthedocs.io/en/latest/faq.html" class="">https://environ.readthedocs.io/en/latest/faq.html</a></div>
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<div class="">Best,</div>
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<div class="">Oliviero</div>
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Oliviero Andreussi<br class="">
--<br class="">
Assistant Professor<br class="">
Department of Physics<br class="">
University of North Texas<br class="">
<a href="mailto:oliviero.andreussi@unt.edu" class="">Email: oliviero.andreussi@unt.edu</a> </div>
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Phone: +1-(940)-369-5316<br class="">
Skype: olivieroandreussi<br class="">
Web: <a href="https://www.materialab.org" class="">https://www.materialab.org</a></div>
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<blockquote type="cite" class="">
<div class="">On Aug 10, 2020, at 5:56 AM, Leo Yang <<a href="mailto:121076797@qq.com" class="">121076797@qq.com</a>> wrote:</div>
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<div class="">Dear QE users,</div>
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<div class="">I try to apply solvent effect (water) to my calculation by using Environ. It goes crash as </div>
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<div class=""><i class="">"from c_bands : error # 1</i><br class="">
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<div class=""><i class=""> too many bands are not converged"</i></div>
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<div class="">which isn't encountered before installing Environ. I have tried to increase
<i class="">ecutwfc</i> and change <i class="">conv_thr</i> from 1.D-6 to 1.D-4 simultaneously, but it didn't work. It will be very appreciated if you can solve my problem.</div>
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<div class="">Best,</div>
<div class="">Yang</div>
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<div class="">Yang Zhou</div>
<div class="">University of Leeds</div>
<div class="">UK </div>
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