About the parameters of CSBEND

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Cai_Meng
Posts: 17
Joined: 19 Jun 2017, 08:01

About the parameters of CSBEND

Post by Cai_Meng » 26 Apr 2020, 03:47

Dear Michael,

For the parameter file (& run_setup parameters=%s.para), there are 73 and 74 parameters of CSBEND without and with "&error_element" command (even without CSBEND errors). The difference is ETILT_SIGN. Is there some different in this two case?

Thanks in advance!
Best wishes,
Cai

michael_borland
Posts: 1796
Joined: 19 May 2008, 09:33
Location: Argonne National Laboratory
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Re: About the parameters of CSBEND

Post by michael_borland » 05 May 2020, 18:21

Cai,

Perhaps you are looking at output from two different versions of the code? The ETILT_SIGN parameter was added recently.

--Michael

Cai_Meng
Posts: 17
Joined: 19 Jun 2017, 08:01

Re: About the parameters of CSBEND

Post by Cai_Meng » 18 May 2020, 19:35

Dear Michael,

I have tried different versions, the elegant-2020.2 have this difference, as you said, this is a new parameter.

Best regards,
Cai

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