Himanshu Sharma

Got it. Thank you so much sir for all the suggestions and discussion.

Sorry Sir, I am not able to understand your point. As I have mentioned above, I need FERMIENERGY.bxsf file which can be produced from vaspkit and there is no such thing mention on vaspkit tutorial that a "FERMIENERGY.bxsf FILE can not be generated for a semiconductor". I need this file for a further calculation. I dont want to plot anything with this file. I need this file as an input file for further calculation. And I am still not able to produce this file with the help of vaspkit.

Soory Sir, I am not able to understand your point. As I have mentioned above, I need FERMIENERGY.bxsf file which can be produced from vaspkit and there is no such thing mention on vaspkit tutorial that a "FERMIENERGY.bxsf FILE can not be generated for a semiconductor". I need this file for a further calculation. I dont want to plot anything with this file. I need this file as an input file for further calculation. And I am still not able to produce this file with the help of vaspkit.

But sir, Is it ok to do so? Because the fermi energy that is currently written on FERMI_ENERGY.in is matching with OUTCAR file. And if it is ok to change, what value should I choose? Can I set the fermi energy equal to VBM?

Thanks for the suggestion but problem remainsas it is. Still getting same error.

Thanks for the reply, Sir. Actually I need the file fermisurface.bxsf which generate through this process and I have tried for another material ZrNiSn and I am getting the same error. And another point I would like to mention, while using the vaspkit with command 262, I got another file name fermi_energy in which fermi energy was mentioned but it could not generate fermisurface.bxsf and I got the error about which I mentioned above.

I was trying to do fermi surface calculation for SILICON(Si) with vaspkit and I followed the instruction as given on tutorials. According to tutorial first I generated the KPOINT file using 261 command and after that I did a vasp calculation. After that I used vaspkit again to generate FERMISURFACE using 262 command but I got an error. Error: No Bands Across Fermi Energy. Is it a semiconductor? Please help me out. Thanks in advance.

I was trying to do fermi surface calculation for SILICON(Si) with vaspkit and I followed the instruction as given on tutorials. According to tutorial first I generated the KPOINT file using 261 command and after that I did a vasp calculation. After that I used vaspkit again to generate FERMISURFACE using 262 command but I got an error. Error: No Bands Across Fermi Energy. Is it a semiconductor? Please help me out. Thanks in advance.