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

[Paolo Giannozzi]

It was fixed some time ago. In the WRITE at line 2185 of projwfc.f90,
replace the last occurrence of "nlmchi" with "nlmchi%m"

Paolo

On Fri, Nov 10, 2017 at 12:54 PM, B S Bhushan <ecebhushan at gmail.com> wrote:

> 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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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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