VASP, SIESTA, CP2K post processing tools (@fmatusalem)
github

fmatusalem

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  • Stars
    star
    11
  • Global Rank 919,001 (Top 32 %)
  • Followers 12
  • Registered about 8 years ago
  • Most used languages
    C
         87.5 %
    Fortran
         12.5 %
  • Location ๐Ÿ‡ง๐Ÿ‡ท Brazil
  • Country Total Rank 23,896
  • Country Ranking
    Fortran
         74
    C
         605

Top repositories

1

CP2K-PDB2XDATCAR

A C program to convert CP2K PDB trajectory file to VASP XDATCAR format
C
3
star
2

xmgrace-bands-vasp

Post processing tool to generate xmgrace file band structures from VASP calculation
C
2
star
3

cp2k_to_deepmdkit

C
1
star
4

vasp-pdos

C
1
star
5

opticsVASP

Program to plot optical properties from VASP results
C
1
star
6

mean-square-displacement-cp2k

Program to compute mean square displacement from CP2K PDB trajetory file.
C
1
star
7

ADD2ION-siesta

Program to add the self-energy potential to .ion siesta files, used in DFT-1/2 calculations.
Fortran
1
star
8

HOMO-LUMO

Program to calculate the direct and indirect gap from VASP results.
C
1
star