The ABINIT Users Mailing List ( CLOSED )

[sanjaykumar durgaprasad gupta <guptasanjay.56@gmail.com>]

Dear Abinit Users....
I trying to calculate elctron -phonon coefficient...
but i got the problem....in log file as below...


.Version 6.0.1  of MRGGKK 
.(sequential version, prepared for a x86_64_linux_gnu4.4 computer) 

.Copyright (C) 1998-2010 ABINIT group . 
 MRGGKK comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see
~abinit/doc/developers/contributors.txt .
 Please read ~abinit/doc/users/acknowledgments.html for suggested
 acknowledgments of the ABINIT effort.
 For more information, see http://www.abinit.org .

.Starting date : Wed 21 Apr 2010.
  
 Files file format:

  Name of the output file
  Integer flag: 0 --> binary output,   1 --> ascii formatted output
  Name of the groud state wavefunction file WF
  Number of 1WF, of GKK files, and number of 1WF files in all the GKK files
  Names of the 1WF files...
  Names of the GKK files...

 Enter name of output file:
 Output                     = MRGKKo_GKK.bin
 Ground State file          = NbCo_DS1_WFK
 Number of 1WF files        =    0.Version 6.0.1  of MRGGKK 
.(sequential version, prepared for a x86_64_linux_gnu4.4 computer) 

.Copyright (C) 1998-2010 ABINIT group . 
 MRGGKK comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see
~abinit/doc/developers/contributors.txt .
 Please read ~abinit/doc/users/acknowledgments.html for suggested
 acknowledgments of the ABINIT effort.
 For more information, see http://www.abinit.org .

.Starting date : Wed 21 Apr 2010.
  
 Files file format:

  Name of the output file
  Integer flag: 0 --> binary output,   1 --> ascii formatted output
  Name of the groud state wavefunction file WF
  Number of 1WF, of GKK files, and number of 1WF files in all the GKK files
  Names of the 1WF files...
  Names of the GKK files...

 Enter name of output file:
 Output                     = MRGKKo_GKK.bin
 Ground State file          = NbCo_DS1_WFK
 Number of 1WF files        =    0
 Number of GKK files        =   18
 Total Number of 1WF in GKK =   18

 normal input for GS file
 header echoed to output file
 normal input for GKK file
 mrggkk: ERROR-
 opening file: # as old

 leave_new : decision taken to exit ...

 
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++




mi input file is as below...

MRGKKo_GKK.bin   # Name of output file
0                # binary (0) or ascii (1) output
NbCo_DS1_WFK     # GS wavefunction file
0  18 18         # number of 1WF files, of GKK files, and of perturbations in
the GKK files
                 # names of the 1WF then the (eventual) GKK files
NbCo_DS2_GKK1
NbCo_DS2_GKK2
NbCo_DS2_GKK3
NbCo_DS2_GKK4
NbCo_DS2_GKK5
NbCo_DS2_GKK6
NbCo_DS3_GKK1
NbCo_DS3_GKK2
NbCo_DS3_GKK3
NbCo_DS3_GKK4
NbCo_DS3_GKK5
NbCo_DS3_GKK6
NbCo_DS4_GKK1
NbCo_DS4_GKK2
NbCo_DS4_GKK3
NbCo_DS4_GKK4
NbCo_DS4_GKK5
NbCo_DS4_GKK6

eagerly waiting for positive reply...

Sanjay Gupta                             




 === Build Information === 
  Version       : 6.0.1
  Build target  : x86_64_linux_gnu4.4
  Build date    : 20100223

 === Compiler Suite === 
  C compiler       : gnu4.4
  CFLAGS           :  -g  -O2
  C++ compiler     : gnu4.4
  CXXFLAGS         :  -g  -O2
  Fortran compiler : gnu4.4
  FCFLAGS          :  -g  -ffree-line-length-none
  FC_LDFLAGS       : 


 Number of GKK files        =   18
 Total Number of 1WF in GKK =   18

 normal input for GS file
 header echoed to output file
 normal input for GKK file
 mrggkk: ERROR-
 opening file: # as old

 leave_new : decision taken to exit ...

 
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 === Build Information === 
  Version       : 6.0.1
  Build target  : x86_64_linux_gnu4.4
  Build date    : 20100223

 === Compiler Suite === 
  C compiler       : gnu4.4
  CFLAGS           :  -g  -O2
  C++ compiler     : gnu4.4
  CXXFLAGS         :  -g  -O2
  Fortran compiler : gnu4.4
  FCFLAGS          :  -g  -ffree-line-length-none
  FC_LDFLAGS       : 




i am facing the error while i am trying to merge GKK files.