Dear all,
I calculated the GW bands 21-40 of the system and tried to retrieve them using `ypp -s b -F ypp_bands.in`, but found that only bands 21-37 could be extracted. When attempting to extract bands 38-40, errors occur. Why might this be happening?
Thanks!
ypp_bands.in
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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xjxiao
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ypp_bands.in
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Xiangjun Xiao
Institute of Semiconductors, Chinese Academy of Sciences
Institute of Semiconductors, Chinese Academy of Sciences
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Daniele Varsano
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Re: ypp_bands.in
Dear Xiangjun,
can you please report what error message do you get, if any?
Can you also post the input file?
I noticed that some conduction bands in the two report are different, are you using a different database? Even if the path of the database seems to be the same.
Best,
Daniele
can you please report what error message do you get, if any?
Can you also post the input file?
I noticed that some conduction bands in the two report are different, are you using a different database? Even if the path of the database seems to be the same.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/