The ABINIT Users Mailing List ( CLOSED )

[Xenophon Krokidis <Xenophon.Krokidis@scienomics.com>]

Dear Asadi,

the message says that there is difference between what you declared as 
number of atoms (natom) and those found in the (xred) keyword. You could 
also send your input file to check directly.

Xenophon

asadidomakani@yahoo.com wrote:
> Dear Abiniters,
>  I wanted to calculate the total energy but i have faced to some errors in my
> log file.The questions are : What are the reasons of them,and how can i get 
> rid
> of that errors?
> thank you,
> Asadi
>
> Log file
>
> ABINIT 
>   
>   Give name for formatted input file: 
> t31.in
>   Give name for formatted output file:
> t31.out
>   Give root name for generic input files:
> t3xi
>   Give root name for generic output files:
> t3xo
>   Give root name for generic temporary files:
> t3x
>
>  Version 4.6.5	of ABINIT 
>  (sequential version, prepared for a P6/Linux computer) 
>
>  
>  Starting date : Thu 23 Apr 2009.
>   
> - input  file	 -> t31.in
> - output file    -> t31.out
> - root for input  files -> t3xi
> - root for output files -> t3xo
>
>  instrng :    90 lines of input have been read
>
>  iofn2 : Please give name of formatted atomic psp file
>  iofn2 : for atom type   1 , psp file is ../../Psps_for_tests/49in_13_hgh.txt
>   read the values zionpsp= 13.0 , pspcod=   3 , lmax=   2
>
>  iofn2 : Please give name of formatted atomic psp file
>  iofn2 : for atom type   2 , psp file is ../../Psps_for_tests/8o.pspnc
>   read the values zionpsp=  6.0 , pspcod=   1 , lmax=   1
>
>  iofn2 : deduce mpsang  =   3, n1xccc  =2501.
>
>  invars1m : enter jdtset=     0
>
>  inread : ERROR -
>   Attempted to read ndig=     0 floating point digits,
>    from string(1:ndig) , to initialize a floating variable.
>
>  inarray : ERROR -
>   It occurred reading data for keyword " XRED				       
> 									       
> 	    ",
>     looking for      120 array elements.
>   There is a problem with the input file : maybe
>   a disagreement between the declared dimension of the array,
>   and the number of data actually provided.
>   Action : correct your input file !
>
>  leave_new : decision taken to exit ...
> 1
>
>
>   
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email;internet:Xenophon.Krokidis@Scienomics.com
title:Managing Director
tel;work:+33 (0)1 53 43 51 05
tel;fax:+ 33 (0)1 53 43 92 92
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