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Make POSCARs for VASP NEB calculation

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MakeNEB

This is the simple script by C++ to make POSCAR files for VASP NEB calculation. I think this work in linux and mac. I think it does not work in windows, because "mkdir" and "entry->d_type" are not working.

How to make

  1. cmake CMakeLists.txt
  2. make
  3. copy makeNEB to /usr/local/bin.

How to Use

  1. make dir "00" and the last directory "0*"; ex. 02, 03, 04 etc...
  2. make POSCAR in 00 and the last directory.
  3. run MakeNEB. Directoreis and POSCARs are generated.

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Make POSCARs for VASP NEB calculation

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  • C++ 97.8%
  • CMake 2.2%