VASPKIT / Discussion / VASPKIT Users: Generating band structure data by vaspkit

Aziz - 2023-05-03

Hello,
I am trying to calculate band structure of Graphene Nanoribbons by using vasp and vaspkit. I want to obtain the data of band structure from VASP results by using Vaspkit ,however I got an error. Thank you in advance for your help.

The error is ;
-->> (01) Reading Input Parameters From INCAR File...
+---------------------------------------------------------------+
| >>> The Fermi Energy will be set to zero eV <<< |
+---------------------------------------------------------------+
-->> (02) Reading Fermi-Energy from DOSCAR File...
-->> (03) Reading Structural Parameters from POSCAR File...
-->> (04) Reading Energy-Levels From EIGENVAL File...
forrtl: severe (24): end-of-file during read, unit 11, file /home/aziz/Desktop/2d materials/AGNR/AG_14/EIGENVAL
Image PC Routine Line Source
vaspkit 00000000008FEFDB Unknown Unknown Unknown
vaspkit 000000000093908B Unknown Unknown Unknown
vaspkit 00000000009378F5 Unknown Unknown Unknown
vaspkit 00000000006F45DB read_eigenval_ 52 readeigenval.F90
vaspkit 0000000000631D4D get_band_ 18 writeband.F90
vaspkit 0000000000780D47 band_kit_ 23 bandkit.F90
vaspkit 00000000006EFED6 task_ 205 task.F90
vaspkit 00000000005EB092 mainmenu_ 41 mainmenu.F90
vaspkit 00000000006B4E26 MAIN__ 27 main.F90
vaspkit 00000000004085A2 Unknown Unknown Unknown
libc-2.27.so 00007FDB52CCEC87 __libc_start_main Unknown Unknown
vaspkit 00000000004084A9 Unknown Unknown Unknown

vaspkit-band.png

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- Vei WANG - 2023-05-05
  
  This error might arise from the abnormal termination of band structure calculations.
  
  2023年5月4日 06:46，Aziz aturkan@users.sourceforge.net 写道：
  
  Hello,
  I am trying to calculate band structure of Graphene Nanoribbons by using vasp and vaspkit. I want to obtain the data of band structure from VASP results by using Vaspkit ,however I got an error. Thank you in advance for your help.
  
  The error is ;
  -->> (01) Reading Input Parameters From INCAR File...
  +---------------------------------------------------------------+
  | >>> The Fermi Energy will be set to zero eV <<< |
  +---------------------------------------------------------------+
  -->> (02) Reading Fermi-Energy from DOSCAR File...
  -->> (03) Reading Structural Parameters from POSCAR File...
  -->> (04) Reading Energy-Levels From EIGENVAL File...
  forrtl: severe (24): end-of-file during read, unit 11, file /home/aziz/Desktop/2d materials/AGNR/AG_14/EIGENVAL
  Image PC Routine Line Source
  vaspkit 00000000008FEFDB Unknown Unknown Unknown
  vaspkit 000000000093908B Unknown Unknown Unknown
  vaspkit 00000000009378F5 Unknown Unknown Unknown
  vaspkit 00000000006F45DB read_eigenval_ 52 readeigenval.F90
  vaspkit 0000000000631D4D get_band_ 18 writeband.F90
  vaspkit 0000000000780D47 band_kit_ 23 bandkit.F90
  vaspkit 00000000006EFED6 task_ 205 task.F90
  vaspkit 00000000005EB092 mainmenu_ 41 mainmenu.F90
  vaspkit 00000000006B4E26 MAIN__ 27 main.F90
  vaspkit 00000000004085A2 Unknown Unknown Unknown
  libc-2.27.so 00007FDB52CCEC87 __libc_start_main Unknown Unknown
  vaspkit 00000000004084A9 Unknown Unknown Unknown
  
  Generating band structure data by vaspkit https://sourceforge.net/p/vaspkit/discussion/users/thread/22e52255d8/?limit=25#1f65
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  - Anonymous - 2023-05-29
    
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Anonymous - 2023-05-18

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Anonymous - 2023-07-26

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Anonymous - 2024-03-12

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Generating band structure data by vaspkit

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Generating band structure data by vaspkit

Generating band structure data by vaspkit

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Generating band structure data by vaspkit