输入文件生成

概述：
- 101) Customize INCAR File
- 102) Generate KPOINTS File for SCF Calculation
- 103) Generate POTCAR File with Default Setting
- 104) Generate POTCAR File with User Specified Potential
- 105) Generate POSCAR File from cif (no fractional occupations)
- 106) Generate POSCAR File from Material Studio xsd (retain fixes)
- 107) Reformat POSCAR File in Specified Order of Elements
- 108) Successive Procedure to Generate VASP Files and Check
- 109) Check All VASP Files
INCAR生成：对一个有POSCAR的体系可以使用101生成
- 之后输入特定的参数用于特殊的任务产生的INCAR文件需要包括对应的关键字
- 比如单点计算（使用杂化泛函HSE06以及DFT+D3的范德华力校正）> STH6D3
- 比如晶格弛豫 > LR 得到：
```
#Global Parameters
  ISTART = 1
  LREAL = Auto
  PREC = Normal
  LWAVE = .TRUE.
  LCHARG = .TRUE.
  ADDGRID= .TRUE.

#Lattice Relaxation
  NSW = 300
  ISMEAR = 0
  SIGMA = 0.05
  IBRION = 2
  ISIF = 3
  EDIFFG = -1.5E-02
  PREC = Accurate
```
- 如果需要输出的INCAR文件中不包括建议参量，则可以在~/.bashrc中加入如下一句设定：
```
MINI_INCAR               .TRUE.
```
KPOINTS生成：使用102命令
- Enter 1 to select the original Monkhorst-Pack scheme,
  
  Enter 2 to select the Gamma centered Monkhorst-Pack scheme.
- 之后会告诉我们选择一个KPOINTS的精度（对应于VASP mannul里面的 ka的标准）

POTCAR生成：使用103命令

在~/.vaspkit中设置以下项
```
GGA_PATH                 '~/POTCAR/GGA'     #  Path of GGA potential. 
PBE_PATH                 '~/POTCAR/PBE'     #  Path of PBE potential. 
LDA_PATH                 '~/POTCAR/LDA'     #  Path of LDA potential.
POTCAR_TYPE               PBE               #  PBE, GGA or LDA; 
RECOMMENDED_POTCAR       .TRUE.             # .TRUE. or .FALSE.;
```
The RECOMMENDED_POTCAR tag control whether to use recommended potentials from VASP manual (Page. 195, 2018.10.29, http://cms.mpi.univie.ac.at/vasp/vasp/Recommended_PAW_potentials_DFT_calculations_using_vasp_5_2.html). If RECOMMENDED_POTCAR is .FALSE., POTCAR with no extensions will be used. If RECOMMENDED_POTCAR is .TRUE., official recommended POTCAR will be used.

POTCAR种类：

No extensions “_”
_d. An extension d, treat the d semi core states as valence state.
_pv or _sv. The extensions _pv and _sv imply that the p and s semi-core states are treated as valence states.
_h and _s. An extension _h or_s implies that the potential is harder or softer than the standard potential and hence requires a higher or lower energy cutoff.
Pseudo hydrogen. ex: H.5
_GW. Used for GW calculation.

If one want to generate POTCAR for GW calculation, Set the GW_POTCAR to .TRUE. in ~/.vaspkit.

104 tag : 用于产生用户指定的POTCAR

POSCAR产生：105和106 转换文件格式，107可以改变元素顺序

输入文件生成

输入文件生成

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