[simple@localhost ~]$ cd vaspkit.1.5.0/
[simple@localhost vaspkit.1.5.0]$ ls
acknowledgement docs license
bin examples matplotlib
changelog how_to_cite setup.sh
citations how_to_install utilities
contributors how_to_set_auto_plot vaspkit_logo.pdf
crystals how_to_set_environment_variables
[simple@localhost vaspkit.1.5.0]$ how_to_install
bash: how_to_install: 未找到命令...
[simple@localhost vaspkit.1.5.0]$ cat how_to_install
(1) cd vaspkit/
(2) bash setup.sh
(3) modify ~/.vaspkit file based on your machine environment
(4) source ~/.bashrc
More details about the installation of VASPKIT can be found on its official website (https://vaspkit.com/installation.html).
[simple@localhost vaspkit.1.5.0]$ bash setup.sh
+------------------------------------------------------------------------+
| The ~/.vaspkit file already exists and has not been overwritten. |
| The PATH variable for vaspkit code has been updated. |
| The VASPKIT_UTILITIES_PATH variable has been updated. |
| The old environment variables have been backed up to ~/.bashrc.bk file |
+------------------------------------------------------------------------+
The last step left to complete installation.
Please run source ~/.bashrc
[simple@localhost vaspkit.1.5.0]$ grep vaspkit ~/.bashrc
export PATH=/home/simple/vaspkit.1.5.0/bin:${PATH}
[simple@localhost vaspkit.1.5.0]$ source ~/.bashrc
[simple@localhost vaspkit.1.5.0]$ cd ~/test/
[simple@localhost test]$ ls
[simple@localhost test]$ vaspkit
\\\///
/ _ _ \ Hey, you must know what you are doing.
(| (o)(o) |) Otherwise you might get wrong results.
o-----.OOOo--()--oOOO.------------------------------------------o
| VASPKIT Standard Edition 1.5.0 (01 Jan. 2024) |
| Lead Developer: Vei WANG (wangvei@icloud.com) |
| Main Contributors: Gang TANG, Nan XU & Jin-Cheng LIU |
| Online Tutorials Available on Website: https://vaspkit.com |
o-----.oooO-----------------------------------------------------o
( ) Oooo. VASPKIT Made Simple
\ ( ( )
\_) ) /
(_/
===================== Structural Utilities ======================
01) VASP Input-Files Generator 02) Mechanical Properties
03) K-Path for Band-Structure 04) Structure Editor
05) Catalysis-ElectroChem Kit 06) Symmetry Analysis
07) Materials Databases 08) Advanced Structure Models
===================== Electronic Utilities ======================
11) Density-of-States 21) Band-Structure
23) 3D Band-Structure 25) Hybrid-DFT Band-Structure
26) Fermi-Surface 28) Band-Structure Unfolding
31) Charge-Density Analysis 42) Potential Analysis
44) Piezoelectric Properties 51) Wave-Function Analysis
62) Magnetic Analysis 65) Spin-Texture
68) Transport Properties
======================== Misc Utilities =========================
71) Optical Properties 72) Molecular-Dynamics Kit
74) User Interface 78) VASP2other Interface
84) ABACUS Interface 91) Semiconductor Kit
92) 2D-Material Kit 95) Phonon Analysis
0) Quit
------------>>
0
o---------------------------------------------------------------o
| * ACKNOWLEDGMENTS * |
| Other Contributors (in no particular order): Peng-Fei LIU, |
| Xue-Fei LIU, Dao-Xiong WU, Zhao-Fu ZHANG, Tian WANG, Qiang LI,|
| Ya-Chao LIU, Jiang-Shan ZHAO, Qi-Jing ZHENG, Yue QIU and You! |
| Advisors: Wen-Tong GENG, Yoshiyuki KAWAZOE |
:) Any Suggestions for Improvement are Welcome and Appreciated (:
|---------------------------------------------------------------|
| * CITATIONS * |
| When using VASPKIT in your research PLEASE cite the paper: |
| [1] V. WANG, N. XU, J.-C. LIU, G. TANG, W.-T. GENG, VASPKIT: A|
| User-Friendly Interface Facilitating High-Throughput Computing|
| and Analysis Using VASP Code, Computer Physics Communications |
| 267, 108033, (2021), DOI: 10.1016/j.cpc.2021.108033 |
o---------------------------------------------------------------o
[simple@localhost test]$ cd ~/lab/yanshi/potpaw_PBE.54
[simple@localhost potpaw_PBE.54]$ ls
Ac Au_GW B_s Cl_h Dy F_s H1.66 H_GW K_sv_GW Mn_pv Ne_s_GW O_s Po Re_sv_GW Sc_sv_GW Ta_sv_GW Tl_sv_GW Y_sv_GW
Ag Au_sv_GW C Cm Dy_3 Ga H1.75 H_h La Mn_sv N_GW O_s_GW Po_d Rh Se Tb Tm Zn
Ag_GW B Ca_pv Co Er Ga_d H.25 H_h_GW La_GW Mn_sv_GW N_GW_new Os_pv Po_d_GW Rh_GW Se_GW Tb_3 Tm_3 Zn_GW
Ag_pv Ba_sv Ca_sv Co_GW Er_2 Ga_d_GW H.33 Ho La_s Mo N_h Os_sv_GW Po_sv_GW Rh_pv Se_sv_GW Tc U Zn_sv_GW
Ag_sv_GW Ba_sv_GW Ca_sv_GW Co_pv Er_3 Ga_GW H.42 Ho_3 Li Mo_pv N_h_GW P Pr Rh_sv_GW S_GW Tc_pv U_s Zr_sv
Al Be Cd Co_sv Eu Ga_h H.5 H_s Li_AE_GW Mo_sv Ni Pa Pr_3 Rn S_h Tc_sv V Zr_sv_GW
Al_GW Be_GW Cd_GW Co_sv_GW Eu_2 Ga_sv_GW H.58 I Li_GW Mo_sv_GW Ni_GW Pa_s Pt Rn_d_GW Si Tc_sv_GW V_pv
Al_sv_GW Be_sv Cd_sv_GW Cr Eu_3 Gd H.66 I_GW Li_sv N Ni_pv Pb Pt_GW Rn_sv_GW Si_GW Te V_sv
Am Be_sv_GW Ce Cr_pv F Gd_3 H.75 In Li_sv_GW Na Ni_sv_GW Pb_d Pt_pv Ru Si_sv_GW Te_GW V_sv_GW
Ar B_GW Ce_3 Cr_sv Fe Ge H_AE In_d Lu Na_pv Np Pb_d_GW Pt_sv_GW Ru_pv Sm Te_sv_GW W
Ar_GW B_h Ce_GW Cr_sv_GW Fe_GW Ge_d He In_d_GW Lu_3 Na_sv Np_s Pb_sv_GW Pu Ru_sv Sm_3 Th W_sv
As Bi Ce_h C_s Fe_pv Ge_d_GW He_AE In_sv_GW Mg Na_sv_GW N_s Pd Pu_s Ru_sv_GW Sn Th_s W_sv_GW
As_d Bi_d Cf Cs_sv Fe_sv Ge_GW He_GW Ir Mg_GW Nb_pv N_s_GW Pd_GW Ra_sv S Sn_d Ti Xe
As_GW Bi_d_GW C_GW Cs_sv_GW Fe_sv_GW Ge_h Hf Ir_sv_GW Mg_pv Nb_sv O Pd_pv Rb_pv Sb Sn_d_GW Ti_pv Xe_GW
As_sv_GW Bi_GW C_GW_new Cu F_GW Ge_sv_GW Hf_pv I_sv_GW Mg_pv_GW Nb_sv_GW O_GW Pd_sv_GW Rb_sv Sb_d_GW Sn_sv_GW Ti_sv Xe_sv_GW
At Bi_sv_GW C_h Cu_GW F_GW_new H Hf_sv K_pv Mg_sv Nd O_GW_new P_GW Rb_sv_GW Sb_GW Sr_sv Ti_sv_GW Yb
At_d_GW Br C_h_GW Cu_pv F_h H1.25 Hf_sv_GW Kr Mg_sv_GW Nd_3 O_h P_h Re Sb_sv_GW Sr_sv_GW Tl Yb_2
At_sv_GW Br_GW Cl Cu_sv_GW F_h_GW H1.33 Hg Kr_GW Mn Ne O_h_GW Pm README.UPDATES Sc Ta Tl_d Yb_3
Au Br_sv_GW Cl_GW data_base Fr_sv H1.5 Hg_sv_GW K_sv Mn_GW Ne_GW Os Pm_3 Re_pv Sc_sv Ta_pv Tl_d_GW Y_sv
[simple@localhost potpaw_PBE.54]$ pwd
/home/simple/lab/yanshi/potpaw_PBE.54
[simple@localhost potpaw_PBE.54]$ vi ~/.vaspkit
07-23
3636
3636
07-29
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