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Author Topic: Total dipole moment  (Read 12343 times)

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Offline berna

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Re: Total dipole moment
« Reply #15 on: February 19, 2018, 13:09 »
I am using ATK 2017.1 and 2017.2.  Both of them gave same error. You can download my hdf5 file from this link:
https://www.dropbox.com/s/lkayzhsg9ran4hg/ns33-m.hdf5?dl=0

The script I used was attached as a file.

« Last Edit: March 19, 2018, 14:52 by berna »
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Offline Petr Khomyakov

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Re: Total dipole moment
« Reply #16 on: February 19, 2018, 15:38 »
Your script does not look like identical to the one in the manual. Generate the Electron Density and use the script from the manual. I enclose the script to my post.
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Offline berna

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Re: Total dipole moment
« Reply #17 on: February 19, 2018, 16:12 »
Thank you. It worked.


« Last Edit: February 19, 2018, 18:19 by berna »
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