Re: [Gausssum-help] help
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From: Noel O'B. <bao...@gm...> - 2017-12-12 16:57:17
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Hi Ajeet, You shouldn't try to open the groups.txt file directly. You should open the original log file again, and this time it will read the groups.txt file. - Noel On 7 December 2017 at 13:32, Ajeet Singh <aje...@gm...> wrote: > By using GaussSum, log file was opened and chosen orbitals option and > after picked the DOS option. It will create the DOS spectrum. Up to this, > everything is fine. For PDOS, it is mandatory to create groups.txt file in > the same gausssum3 directory. Whenever, I tried it to open, the software > displays an error message. > > > > > > > > > *Dr. Ajeet Singh*M.Sc., Ph.D., > Division of Advanced Materials Science, > POSTECH, > South Korea > e-mail: aje...@gm... > Google Scholar Page: http://scholar.google.co.in/citations?user= > KDGOcbAAAAAJ > > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Gausssum-help mailing list > Gau...@li... > https://lists.sourceforge.net/lists/listinfo/gausssum-help > > |