[Pw_forum] Problem with PDOS (format/variable-type mismatch)

B S Bhushan ecebhushan at gmail.com
Fri Nov 10 12:54:02 CET 2017


Dear Experts,

I was calculating DOS and PDOS of a doped graphene system.
There was no problem calculating DOS using dos.x.
However, I received an error while calculating PDOS using projwfc.x
"format/variable-type mismatch".
the error is as below,

--------------------------------------------------------------------
     Program PROJWFC v.6.1 (svn rev. 13369) starts on 10Nov2017 at 14: 5:25

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    48 processors
     R & G space division:  proc/nbgrp/npool/nimage =      48

     Reading data from directory:
     ./graphitic.save

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

               file C.pbe-rrkjus.UPF: wavefunction(s)  2S 2P renormalized
               file N.pbe-rrkjus.UPF: wavefunction(s)  2S renormalized

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         232      93     25                16156     4088     585
     Max         233      95     26                16161     4091     590
     Sum       11155    4483   1237               775611   196271   28211


     negative rho (up, down):  9.688E-05 0.000E+00

     Gaussian broadening (read from file): ngauss,degauss=  -1    0.005000


     Calling pprojwave ....

  Problem Sizes
  natomwfc =          200
  nbnd     =          121
  nkstot   =          365
  npwx     =          526
  nkb      =          400

forrtl: severe (61): format/variable-type mismatch, unit 33, file
/home/external/iiitm/santhib/graphitic/PDOS_proj.projwfc_up
Image              PC                Routine            Line
Source
projwfc.x          0000000000A875FE  Unknown               Unknown  Unknown
projwfc.x          0000000000A86096  Unknown               Unknown  Unknown
projwfc.x          0000000000A3AEB2  Unknown               Unknown  Unknown
projwfc.x          00000000009D760B  Unknown               Unknown  Unknown
projwfc.x          00000000009D6B72  Unknown               Unknown  Unknown
projwfc.x          0000000000A27B81  Unknown               Unknown  Unknown
projwfc.x          000000000041BCD7  pprojwave_               2185
projwfc.f90
projwfc.x          000000000040695B  MAIN__                    224
projwfc.f90
projwfc.x          000000000040626C  Unknown               Unknown  Unknown
libc.so.6          0000003FF541ECDD  Unknown               Unknown  Unknown
projwfc.x          0000000000406169  Unknown               Unknown  Unknown
----------------------------------------------------------------------------------------------------------------------------------------------------------------------

Please suggest, what should I do to avoid this problem.

I will be very thankful for your precious time and knowledge.

Sincerely,
B S Bhushan
Ph.D Scholar,
ABV-IIITM Gwalior, India.
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