<div dir="ltr"><div>Dear Paolo,<br> <br></div> Thanks for your suggestion. It works for me. I ran it in two steps and it was running fine. <br></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><div>Thanks<br></div><div>--------------------------------------------<br>Sourav Mondal<br></div>PhD Student<br></div>JNCASR , Bangalore<br></div>Pin- 560064<br></div>India<br></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Tue, Apr 26, 2016 at 1:16 AM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Not sure why it doesn't apear in the printout, but if you look for the message "read above" where it occurs (file PP/src/chdens.f90), you will find the following lines:<br><br> WRITE(stdout,'(/"BEWARE: plot requiring G-space interpolation",&<br> &" not implemented for Gamma only!",/, &<br> &"SOLUTION: restart this calculation with", &<br> &" emtpy namelist &inputpp")')<br> CALL errore ('chdens','Not implemented, please read above',1)<br><br><br></div>Paolo</div><div class="gmail_extra"><br><div class="gmail_quote"><div><div class="h5">On Mon, Apr 25, 2016 at 11:59 AM, Sourav Mondal <span dir="ltr"><<a href="mailto:souravchembwn@gmail.com" target="_blank">souravchembwn@gmail.com</a>></span> wrote:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5"><div dir="ltr"><div>Dear Sirs,<br><br></div><div> I want to generate STM images using Quantum espresso but I am facing difficulties in running pp.x. I have run a scf calculation to generate output files before running pp.x. scf calculation was terminated normally.But when I have tried to run the pp.x, I got the following type of error<br><br><b>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> Error in routine chdens (1):<br> Not implemented, please read above<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping .</b>..<br><br></div><div>I have tried to run with different version of espresso but in every case I got the same error.<br><br></div><div>I am attaching files with this mail :<br><br></div><div>1. input for scf calculation<br></div><div>2.input for pp.x run<br></div><div>3. output of pp.x<br><br></div><div>Input for scf has 545 atomic coordinates. This is an input for a slab calculation of two layer thickness.<br> <br></div><div>Please help me to sort out this problem.<br></div><div><div><br clear="all"><div><div><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><div>Thanks<br></div><div>--------------------------------------------<br>Sourav Mondal<br></div>PhD Student<br></div>JNCASR , Bangalore<br></div>Pin- 560064<br></div>India<br></div></div></div></div></div></div></div>
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