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Examples of LASP

     Example DOWNLOAD

    It is a good start to learn LASP from the examples. Some useful instructions :

 First, unzip the file:
     tar -zxvf *.tgz

 The folder should look like
     allexamples
     NN
     NNtrain
     VASP
     SIESTA
     ...
     README

    

    

     To run an example, such as NN-1, please follow the steps below

     1. cd allexamples/NN-1

     2. cp sourcedir/* .

     3. [DIR]/lasp

     or mpirun -np 4 [DIR]/lasp

    

    Note:

    1. *.arc file is the coordinate of structure, which can be read by Material studio

    2. If you write input.arc by self, the following simple format is readable by LASP

     --------------------------------------

     [Empty Line]

     [Empty Line]

     [Empty Line]

     [Empty Line]

    PBC a b c alpha beta gamma [The unit cell parameters]

    Au x y z [The x/y/z Cartesian coordinates]

    Au x y z [The x/y/z Cartesian coordinates]

    END

    END

     --------------------------------------


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