<div dir="auto">Did you recompile the code after the change? <br><br><div data-smartmail="gmail_signature">-- <br>Lorenzo Paulatto<br>Written on a virtual keyboard with real fingers</div></div><div class="gmail_extra"><br><div class="gmail_quote">On 11 Nov 2017 8:24 a.m., "B S Bhushan" <<a href="mailto:ecebhushan@gmail.com">ecebhushan@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div>Dear Dr. Paolo,<br><br></div>I have made the below change in the last occurrence of nlmchi at line 2185 as you suggested...<br> <br>WRITE(iunproj,'(2i5,1x,a4,1x,<wbr>a2,1x,3i5)') &<br> nwfc, nlmchi(nwfc)%na, atm(ityp(nlmchi(nwfc)%na)), &<br> nlmchi(nwfc)%els, nlmchi(nwfc)%n, nlmchi(nwfc)%l, <b>nlmchi(nwfc)%m</b><br><br></div>However, Still I am getting the same error.<br><br></div>Can u please suggest.<br><br></div><div>sincerely,<br></div>B S Bhushan<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Nov 10, 2017 at 7:52 PM, 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>It was fixed some time ago. In the WRITE at line 2185 of projwfc.f90, replace the last occurrence of "nlmchi" with "nlmchi%m"<br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div class="m_6602370368003326441h5">On Fri, Nov 10, 2017 at 12:54 PM, B S Bhushan <span dir="ltr"><<a href="mailto:ecebhushan@gmail.com" target="_blank">ecebhushan@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="m_6602370368003326441h5"><div dir="ltr"><div><div><div><div><div><div><div><div><div><div>Dear Experts,<br><br></div>I was calculating DOS and PDOS of a doped graphene system. <br></div>There was no problem calculating DOS using dos.x.<br></div>However, I received an error while calculating PDOS using projwfc.x "format/variable-type mismatch".<br></div>the error is as below,<br><br>------------------------------<wbr>------------------------------<wbr>--------<br> Program PROJWFC v.6.1 (svn rev. 13369) starts on 10Nov2017 at 14: 5:25 <br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br> URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.or<wbr>g</a>", <br> in publications or presentations arising from this work. More details at<br> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.or<wbr>g/quote</a><br><br> Parallel version (MPI), running on 48 processors<br> R & G space division: proc/nbgrp/npool/nimage = 48<br><br> Reading data from directory:<br> ./graphitic.save<br><br> Info: using nr1, nr2, nr3 values from input<br><br> Info: using nr1, nr2, nr3 values from input<br><br> IMPORTANT: XC functional enforced from input :<br> Exchange-correlation = PBE ( 1 4 3 4 0 0)<br> Any further DFT definition will be discarded<br> Please, verify this is what you really want<br><br> file C.pbe-rrkjus.UPF: wavefunction(s) 2S 2P renormalized<br> file N.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized<br> <br> Parallelization info<br> --------------------<br> sticks: dense smooth PW G-vecs: dense smooth PW<br> Min 232 93 25 16156 4088 585<br> Max 233 95 26 16161 4091 590<br> Sum 11155 4483 1237 775611 196271 28211<br> <br><br> negative rho (up, down): 9.688E-05 0.000E+00<br><br> Gaussian broadening (read from file): ngauss,degauss= -1 0.005000<br><br><br> Calling pprojwave .... <br> <br> Problem Sizes <br> natomwfc = 200<br> nbnd = 121<br> nkstot = 365<br> npwx = 526<br> nkb = 400<br> <br>forrtl: severe (61): format/variable-type mismatch, unit 33, file /home/external/iiitm/santhib/g<wbr>raphitic/PDOS_proj.projwfc_up<br>Image PC Routine Line Source <br>projwfc.x 0000000000A875FE Unknown Unknown Unknown<br>projwfc.x 0000000000A86096 Unknown Unknown Unknown<br>projwfc.x 0000000000A3AEB2 Unknown Unknown Unknown<br>projwfc.x 00000000009D760B Unknown Unknown Unknown<br>projwfc.x 00000000009D6B72 Unknown Unknown Unknown<br>projwfc.x 0000000000A27B81 Unknown Unknown Unknown<br>projwfc.x 000000000041BCD7 pprojwave_ 2185 projwfc.f90<br>projwfc.x 000000000040695B MAIN__ 224 projwfc.f90<br>projwfc.x 000000000040626C Unknown Unknown Unknown<br>libc.so.6 0000003FF541ECDD Unknown Unknown Unknown<br>projwfc.x 0000000000406169 Unknown Unknown Unknown<br>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>----------------<br><br></div>Please suggest, what should I do to avoid this problem.<br><br></div>I will be very thankful for your precious time and knowledge.<br><br></div>Sincerely,<br></div>B S Bhushan<br></div>Ph.D Scholar,<br></div>ABV-IIITM Gwalior, India.<br><div><div><div><div><div><div><div><br></div></div></div></div></div></div></div></div>
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