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VASPKIT Users

Questions and bugsfor VASPKIT users

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Topic	Posts	Views	Last Post
VASPKIT Tutorial Published in Nature Protocols By Vei WANG on Thu Dec 04, 2025 01:35 PM	1	141	By Vei WANG on Thu Dec 04, 2025 01:35 PM
Work function energy higher than the vacuum energy (Fermi energy ~ -0... By Reynaldo Pu on Mon Nov 17, 2025 08:37 PM	4	161	By DENNIS BOAKYE on Tue Nov 18, 2025 12:50 AM
Magnetic Anisotropy Energy MAE.dat By Jungho Kim on Wed Nov 13, 2024 04:08 AM	3	621	By Jungho Kim on Wed Nov 13, 2024 07:45 AM
Charge Density Difference Using VASPkit Command Line By Ruby Keesey on Wed Jul 10, 2024 09:19 PM	4	1091	By DENNIS BOAKYE on Fri Jul 12, 2024 10:42 AM
Effective mass of carriers By MOGUS D MOCHENA on Fri Jun 14, 2024 04:52 AM	1	315	By MOGUS D MOCHENA on Fri Jun 14, 2024 04:52 AM
Generating band structure data by vaspkit By Aziz on Wed May 03, 2023 10:46 PM	2	2488	By Anonymous on Tue Mar 12, 2024 03:52 AM
large wave function file size By Nandhini on Tue Jan 31, 2023 01:42 PM	2	179	By Vei WANG on Tue Jan 31, 2023 02:51 PM
Brillouin zone in 3D band structure By Shahid Sattar on Sat Nov 12, 2022 10:35 AM	1	201	By Shahid Sattar on Sat Nov 12, 2022 10:35 AM
Error: No Bands Across Fermi Energy. Is it a semiconductor? By Himanshu Sharma on Mon Jul 11, 2022 10:36 AM	11	607	By Himanshu Sharma on Wed Jul 20, 2022 11:17 AM
Error: No Bands Across Fermi Energy. Is it a semiconductor? By Himanshu Sharma on Mon Jul 11, 2022 10:36 AM	1	133	By Himanshu Sharma on Mon Jul 11, 2022 10:36 AM
Dense K-Mesh for 3D band structure By Anonymous on Tue Sep 18, 2018 07:53 AM	1	821	By Anonymous on Sun Jun 02, 2019 02:38 AM
gfortran compatibility By Anonymous on Thu Mar 09, 2017 11:35 AM	1	460	By Anonymous on Thu Jun 29, 2017 01:58 PM
SIGSEGV Error when reading the KPATH.in file in Hybrid-DFT BandStruct... By Anonymous on Mon Oct 17, 2022 06:17 AM	1	83	By Anonymous on Mon Oct 17, 2022 06:17 AM
Vaspkit only producing 2 data point of dos and optical job By Anonymous on Wed Feb 17, 2021 04:51 AM	1	95	By Anonymous on Wed Feb 17, 2021 04:51 AM
Plotting Brillouin zone with 3D band structure By Anonymous on Sat Nov 12, 2022 10:33 AM	1	76	By Anonymous on Sat Nov 12, 2022 10:33 AM
Transition Dipole Moment with PBE-SOC By Anonymous on Tue Mar 01, 2022 08:35 AM	1	77	By Anonymous on Tue Mar 01, 2022 08:35 AM
plotting configuration in vaspkit 1.4.0 By Anonymous on Wed Dec 21, 2022 12:36 PM	1	79	By Anonymous on Wed Dec 21, 2022 12:36 PM
Large size in the vasp file generated By Anonymous on Tue Apr 26, 2022 08:36 AM	1	69	By Anonymous on Tue Apr 26, 2022 08:36 AM
About optical data extraction issue using Vaspkit By Anonymous on Sun May 07, 2023 01:36 AM	1	53	By Anonymous on Sun May 07, 2023 01:36 AM
Effective mass calculation with different number of KPOINTS By Anonymous on Fri Oct 27, 2017 01:41 PM	1	533	By Anonymous on Fri Oct 27, 2017 01:41 PM
vaspkit.5.20 band.dat By Anonymous on Thu Jan 31, 2019 07:42 AM	1	210	By Anonymous on Thu Jan 31, 2019 07:42 AM
Updated version of source code By Anonymous on Mon May 09, 2022 05:41 AM	1	117	By Anonymous on Mon May 09, 2022 05:41 AM
About optical data extraction issue using vaspkit By Poonam Sharma on Sun May 07, 2023 01:38 AM	1	90	By Poonam Sharma on Sun May 07, 2023 01:38 AM
About fermi surface By Anonymous on Fri Jan 17, 2020 01:53 PM	1	128	By Anonymous on Fri Jan 17, 2020 01:53 PM
232) 3D Band-Structure for 2D Material segmentation fault By Anonymous on Sun Nov 12, 2023 01:51 AM	1	70	By Anonymous on Sun Nov 12, 2023 01:51 AM

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