CHG file format of LSORBIT
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- Newbie
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CHG file format of LSORBIT
Dear all,
What is the content of the CHG file calculating with LSORBIT? I found there is four part of the file, the second and the third part is zero.
Something look like:
48 48 42
-162.82 -140.71 -81.405 -2.9852 72.755 127.99 153.83 151.21 128.40 96.617
...
48 48 42
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
...
48 48 42
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
...
48 48 42
-.30630E-03 -.26258E-03 -.15522E-03 -.36153E-04 0.52859E-04 0.10071E-03 0.11734E-03 0.11360E-03 0.93684E-04 0.61282E-04
Thanks for any comments.
What is the content of the CHG file calculating with LSORBIT? I found there is four part of the file, the second and the third part is zero.
Something look like:
48 48 42
-162.82 -140.71 -81.405 -2.9852 72.755 127.99 153.83 151.21 128.40 96.617
...
48 48 42
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
...
48 48 42
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
...
48 48 42
-.30630E-03 -.26258E-03 -.15522E-03 -.36153E-04 0.52859E-04 0.10071E-03 0.11734E-03 0.11360E-03 0.93684E-04 0.61282E-04
Thanks for any comments.
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- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: CHG file format of LSORBIT
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP