<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>--------------------------------------------------------------------<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">http://www.quantum-espresso.org</a>", <br>     in publications or presentations arising from this work. More details at<br>     <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/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/graphitic/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>----------------------------------------------------------------------------------------------------------------------------------------------------------------------<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>