<div dir="auto">Thankyou for the quick response sir, I'll let you know once it's done </div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jun 8, 2023, 5:28 PM Matt Watkins <<a href="mailto:mattwatkinsuk@gmail.com">mattwatkinsuk@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div>Hi,</div><div>you should see the message</div><div> *** WARNING in pw/ps_wavelet_methods.F:236 :: Density non-zero on the ***<br> *** edges of the unit cell: wrong results in WAVELET solver <br></div><div><br></div><div>To use the wavelet poisson solver you must centre the 'molecule' in the cell and make sure that there is ~5A vacuum space everywhere so that the electron density decays away. Otherwise you will get spurious results.</div><div>Matt<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, 8 June 2023 at 10:34:37 UTC+1 Mohan D sanjay wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">greetings everyone, I'm struck with this error ( Cholesky decomposition failed. Matrix ill conditioned ? ), can you guys help me out...! i have attached my input and output file, <div>thanks in advance </div></blockquote></div>
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