CHG file format of LSORBIT

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CHG file format of LSORBIT

Postby cslin » Fri Mar 29, 2019 2:22 am

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.
cslin
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