User Activity

  • Posted a comment on discussion Elk Users on Elk

    Dear Developers, I am Dr. Chiu. Recently, I became an ELK user and I can use ELK to study the band structures of some materials. For a further study, I would like to generate the Green's function "G" and Screened Coulomb interaction "W" from ELK to apply to further calculations after a band structure calculation. Could you please guide me how to obtain the G and W as a columns form or a matrix form from ELK by an example? Thanks a lot. Best wishes, Yu-Huang Chiu

  • Modified a comment on discussion Elk Users on Elk

    Dear all, I would like to generate the Green's function "G" and Screened Coulomb interaction "W" from ELK to apply to some calculations after finishing the ELK calculation. Could you please guide me how to obtain the G and W as a columns form or a matrix form from ELK by an example? Thanks a lot. Best wishes, Yu-Huang Chiu

  • Modified a comment on discussion Elk Users on Elk

    Dear all, I would like to generate the Green's function "G" and Screened Coulomb interaction "W" from ELK to apply to some calculations after finishing the ELK calculation. Could you please guide me how to obtain the G and W as a columns form or a matrix form from ELK by an example? Thanks a lot. Best wishes, Chiu

  • Modified a comment on discussion Elk Users on Elk

    Dear all, I would like to generate the Green's function "G" and Screened Coulomb interaction "W" from ELK to apply to some calculations after finishing the ELK calculation. Could you show me how to obtain the G and W as a columns form or a matrix form from ELK? Thanks a lot. Best wishes, Chiu

  • Posted a comment on discussion Elk Users on Elk

    Dear all, I would like to generate the Green's function "G" and Screened Coulomb interaction "W" from ELK to apply to some calculations after finishing the ELK calculation. Could you show me how to batain the G and W as a columns form or a matrix form from ELK? Thanks a lot. Best wishes, Chiu

  • Modified a comment on discussion Elk Users on Elk
  • Posted a comment on discussion Elk Users on Elk

    I have a big problem that I received the message “permission denied” when I executed the command “./setup” and, however, I never met such a problem when I installed other programs. Does it mean that I have not authority to execute some contents in the file “setup”? I use my personal account to login the system and then change to the account "root" by using the command "sudo - su".

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Username:
yhchiu
Joined:
2017-11-09 15:31:34

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