# Potential I/O Issues and Inconsistencies in abinit

**URL:** <https://discourse.abinit.org/t/potential-i-o-issues-and-inconsistencies-in-abinit/3711>\
**Category:** Developing Abinit\
**Tags:** testing\
**Created:** [May 16, 2025, 7:39am UTC](https://discourse.abinit.org/t/potential-i-o-issues-and-inconsistencies-in-abinit/3711 "2025-05-16T07:39:46Z")\
**Posts on this page:** 1\
**Page:** 1

<div class="post-metadata">

**Author:** ![Kongfer](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/k/b77776/32.png) [@Kongfer](https://discourse.abinit.org/u/Kongfer)\
**Post date:** [May 16, 2025, 7:39am UTC](https://discourse.abinit.org/t/potential-i-o-issues-and-inconsistencies-in-abinit/3711/1 "2025-05-16T07:39:46Z")

</div>

Dear abinit community,

Here are two small potential I/O issues that I encountered during my use of abinit.

* * *

### 1. incorrect Output for `zcut` in Eph for mobility

In the eph mobility tutorial, when setting `eph_intemeth = 1` and `zcut` to a value less than 1 meV, the log file incorrectly displays `zcut` as `0.000 eV`. Although, the actual value is not zero and will not have impact in the calculation. The display seems to be truncated it to zero.

* * *

### 2. **Truncation of Decimal Points in Output Filenames**

When using input files with decimal points (e.g., `ABC_erange_0.3ev.abi`), the output files are incorrectly generated with truncated decimal characters. For example, the output file becomes `ABC_erange_0o_OUT.nc` instead of `ABC_erange_0.3_OUT.nc`.

**Impact** : This error can cause confusion in file naming, leading to incorrect file associations or data retrieval issues, particularly in automated workflows.

* * *

**Inconsistency in Documentation: `sigma_erange` and `sigma_ngkpt`?**

The [documentation](https://docs.abinit.org/variables/eph/#sigma_erange) states that `sigma_erange` is **not compatible** with `nkptgw` and `sigma_ngkpt`. However, in the eph mobility tutorial, the “[Convergence w.r.t. the k/q meshes](https://docs.abinit.org/tutorial/eph4mob/#convergence-wrt-the-kq-meshes)” section implies that both `sigma_erange` and `sigma_ngkpt` can be used together to achieve double the k/q mesh size.

* * *

And here is the version information.

```auto
abinit -b
 DATA TYPE INFORMATION: 
 REAL: Data type name: REAL(DP) 
            Kind value: 8
            Precision: 15
            Smallest nonnegligible quantity relative to 1: 0.22204460E-015
            Smallest positive number: 0.22250739E-307
            Largest representable number: 0.17976931E+309
 INTEGER: Data type name: INTEGER(default) 
            Kind value: 4
            Bit size: 32
            Largest representable number: 2147483647
 LOGICAL: Data type name: LOGICAL 
            Kind value: 4
 CHARACTER: Data type name: CHARACTER Kind value: 1
  ==== Using MPI-2 specifications ==== 
  MPI-IO support is ON
  xmpi_tag_ub ................ 1048575
  xmpi_bsize_ch .............. 1
  xmpi_bsize_int ............. 4
  xmpi_bsize_sp .............. 4
  xmpi_bsize_dp .............. 8
  xmpi_bsize_spc ............. 8
  xmpi_bsize_dpc ............. 16
  xmpio_bsize_frm ............ 4
  xmpi_address_kind .......... 8
  xmpi_offset_kind ........... 8
  MPI_WTICK .................. 4.166708213898336E-010

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 CPP options activated during the build:

                  CC_INTEL CXX_GNU FC_INTEL
 
                 HAVE_DFTI HAVE_FC_ALLOCATABLE_DT... HAVE_FC_ASYNC
 
  HAVE_FC_COMMAND_ARGUMENT HAVE_FC_COMMAND_LINE HAVE_FC_CONTIGUOUS
 
           HAVE_FC_CPUTIME HAVE_FC_EXIT HAVE_FC_FLUSH
 
             HAVE_FC_GAMMA HAVE_FC_IEEE_ARITHMETIC HAVE_FC_IEEE_EXCEPTIONS
 
             HAVE_FC_IOMSG HAVE_FC_ISO_C_BINDING HAVE_FC_ISO_FORTRAN_2008
 
        HAVE_FC_LONG_LINES HAVE_FC_MOVE_ALLOC HAVE_FC_ON_THE_FLY_SHAPE
 
           HAVE_FC_PRIVATE HAVE_FC_PROTECTED HAVE_FC_SHIFTLR
 
         HAVE_FC_STREAM_IO HAVE_HDF5 HAVE_HDF5_MPI
 
        HAVE_LIBPAW_ABINIT HAVE_LIBTETRA_ABINIT HAVE_LIBXC
 
         HAVE_LINALG_AXPBY HAVE_LINALG_GEMM3M HAVE_LINALG_GEMMT
 
  HAVE_LINALG_MKL_IMATCOPY HAVE_LINALG_MKL_OMATADD HAVE_LINALG_MKL_OMATCOPY
 
   HAVE_LINALG_MKL_THREADS HAVE_LINALG_SCALAPACK HAVE_MPI
 
                 HAVE_MPI2 HAVE_MPI2_INPLACE HAVE_MPI_IALLGATHER
 
       HAVE_MPI_IALLREDUCE HAVE_MPI_IALLTOALL HAVE_MPI_IALLTOALLV
 
           HAVE_MPI_IBCAST HAVE_MPI_IGATHERV HAVE_MPI_INTEGER16
 
               HAVE_MPI_IO HAVE_MPI_TYPE_CREATE_S... HAVE_NETCDF
 
       HAVE_NETCDF_DEFAULT HAVE_NETCDF_FORTRAN HAVE_NETCDF_FORTRAN_MPI
 
           HAVE_NETCDF_MPI HAVE_OS_LINUX HAVE_TIMER_ABINIT
 
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
 === Build Information === 
  Version : 10.0.5
  Build target : x86_64_linux_intel2021.4
  Build date : 20240703
 
 === Compiler Suite === 
  C compiler : intel2021.4
  C++ compiler : gnu2021.4
  Fortran compiler : intel2021.4
  CFLAGS : -g -O2
  CXXFLAGS : -g -O2 -mtune=native -march=native
  FCFLAGS : -g -extend-source -nofpscomp -I/home/test/abinit/buil ...
  FC_LDFLAGS : -static-intel -static-libgcc
 
 === Optimizations === 
  Debug level : basic
  Optimization level : standard
  Architecture : intel_xeon
 
 === Multicore === 
  Parallel build : yes
  Parallel I/O : 
  openMP support : 
  GPU support : 
 
 === Connectors / Fallbacks === 
  LINALG flavor : mkl
  FFT flavor : dfti
  HDF5 : yes
  NetCDF : yes
  NetCDF Fortran : yes
  LibXC : yes
  Wannier90 : no
 
 === Experimental features === 
  Exports : 
  GW double-precision : 
 
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Default optimizations:
   -O3

 Optimizations for 43_ptgroups:
   -O0

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

```

Best regards,  
Kongfer