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

[B S Bhushan]

Dear Dr. Paolo,

I have made the below change in the last occurrence of nlmchi at line 2185
as you suggested...

WRITE(iunproj,'(2i5,1x,a4,1x,a2,1x,3i5)') &
                  nwfc, nlmchi(nwfc)%na, atm(ityp(nlmchi(nwfc)%na)), &
                  nlmchi(nwfc)%els, nlmchi(nwfc)%n, nlmchi(nwfc)%l,
*nlmchi(nwfc)%m*

However, Still I am getting the same error.

Can u please suggest.

sincerely,
B S Bhushan

On Fri, Nov 10, 2017 at 7:52 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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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