[CP2K-user] The specified OLD file <./GTH_POTENTIAL> cannot be opened. It does * * | not exist.

[vasanth kumar]

I got solution. I have given wrong file name. 

On Wednesday, 16 October 2019 11:39:07 UTC+5:30, vasanth kumar wrote:
>
> Hi
>
> The running of cp2k is terminated by displaying message(in output file)  
> "The specified OLD file <./GTH_POTENTIAL> cannot be opened. It does *  *    
> |         not exist."
>
> I tried it by changing basis set and potentials, but I am unable to trace 
> the proble. Pl suggest the solution.  I am attaching the input file for 
> your information
>
>
>
>  &GLOBAL
>  PROJECT cou
>  RUN_TYPE GEO_OPT
> &END GLOBAL
>
> &FORCE_EVAL
>
>  METHOD QS
>  &DFT
>    CHARGE 0
>    MULTIPLICITY 1
>   BASIS_SET_FILE_NAME ./GTH_BASIS_SETS
>   POTENTIAL_FILE_NAME ./GTH_POTENTIAL
>   &MGRID
>    NGRIDS 4
>    CUTOFF 30
>   &END MGRID
>   &XC
>    &XC_FUNCTIONAL BLYP 
>    &END XC_FUNCTIONAL
>   &END XC
>  &END DFT
>  &SUBSYS
>   &COORD
>     C          0.50862        0.59913       -0.10569
>     C         -0.57165        1.40540       -0.08820
>     C         -1.89344        0.82980       -0.02547
>     C         -2.01327       -0.57350        0.01632
>     C          0.35315       -0.84845       -0.06259
>     H         -2.98175        2.70357       -0.03663
>     H          1.54817        0.96711       -0.15221
>     H         -0.48131        2.50265       -0.12043
>     C         -3.06421        1.60652       -0.00419
> -
> -
> -
> -
>  &END COORD
>
>    &KIND H
>     BASIS_SET DZVP-GTH
>     POTENTIAL GTH-BLYP-q1
>    &END KIND
>
>    &KIND C
>     BASIS_SET DZVP-GTH
>     POTENTIAL GTH-BLYP-q4
>    &END KIND
>
>    &KIND O
>     BASIS_SET DZVP-GTH
>     POTENTIAL GTH-BLYP-q6
>    &END KIND
>
>   &CELL
>    ABC 50 50 50 # Provisional Cell Param. Please "Add Unit Cell" !
>   &END CELL
>  &END SUBSYS
> &END FORCE_EVAL
>
>
>
>
>
> tq
>
>
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