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Python scripts to plot the band structure using VASP EIGENVAL, PROCAR, POSCAR and DOSCAR file.

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bmondal94/VASP-scripts

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VASP-scripts

  1. BandGap : This script computes band gap using VASP OUTCAR/EIGENVAL file. [Help: $BandGap -h]
  2. CreatePotcarVasp : This scripts reads the POSCAR file and creats the POTCAR file of corresponding elements (in order) [Help: $BandGap -h]
  3. CheckFinishAll : To check the convergence of a vasp run. [Help: $CheckFinishAll -h]
  4. Bandstructure.py : Python scripts to plot the band structure using VASP EIGENVAL, PROCAR, POSCAR and DOSCAR file.
  5. sqs2poscarconvert.py : Python scripts to convert sqs output from ATAT software to VASP POSCAR.
  6. MakeVacuum.py : Python scripts to create slab+vacuum in zincblende structure.
  7. SqsGenerator : Create SQS cell using ATAT software.
  8. subvasp : VASP job submit scripts in cluster. [Help: $subvasp -h]
  9. subvaspman : Manual of subvasp.
  10. suborca : VASP job submit scripts in cluster. [Help: $suborca -h]
  11. LatticeVectors.py : To get the lattice parameters for zincblende/cubic/strained zincblende structure from POSCAR file.

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Python scripts to plot the band structure using VASP EIGENVAL, PROCAR, POSCAR and DOSCAR file.

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