BSE result not compatible with ypp input

Anything regarding the post-processing utility (e.g. excitonic wavefunction analysis) is dealt with in this forum.

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Davide Sangalli
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Re: BSE result not compatible with ypp input

Post by Davide Sangalli » Wed Oct 23, 2019 9:04 am

Dear Yimin Ding,
not sure of what you are doing.

The suggestion in the previous message is to edit the file src/io/variables_BS.F replacing the lins with a "-" with the lines with a "+" (basically change a couple of "CHECK" to "WANR") and then recompile ypp ("make ypp").

Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
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http://www.max-centre.eu/

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Daniele Varsano
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Re: BSE result not compatible with ypp input

Post by Daniele Varsano » Wed Oct 23, 2019 9:09 am

Just a spelling correction:
basically, change a couple of "CHECK" to "WARN"


Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
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Dean
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Re: BSE result not compatible with ypp input

Post by Dean » Thu Oct 24, 2019 6:01 am

I know how to do with it. Thanks.
Dr. Yimin Ding
Soochow University, China.

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