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vo duy dat

why can’t Abinit work for code with Nb element

Could you please check the Abinit Tool, it can’t work in case the element is Nb. Thank you!

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    Benjamin P Haley

    Thanks for bringing this to our attention. We will track this issue as a support ticket, https://nanohub.org/support/ticket/257424.

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      vo duy dat

      Thank you for your reply. I have checked the problem. I upload t41.in from abinit-5.8.3/src/test/tutorial/iput/ and the program worked well. When i changed zatom from 13 into 41 (Al -> Nb) in the “t41.in” file,the program did not work. Except Nb (41) all other elements work well. It showed the following message: “Problem launching job: couldn’t open “”:no such file or directory while executing “open $psp_filename r” invoked from within “if { #—————————————————————- #Parse the structure deck #————————————————…” (file “/apps/abinit/r104/rappture/abinitwr” Line 233) “

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        Benjamin P Haley

        Please post replies to the support ticket in the URL above. See the ticket for more information.

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