Dear Daniele,
I followed your instructions exactly to fill out the input file, but an unexpected issue occurred after running the calculation. The `SAVE/ndb.kindx` file was modified, causing subsequent input files to fail to generate properly.
How can this be resolved? Will this affect other calculations?
Unable to generate input file
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xjxiao
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Re: Unable to generate input file
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Last edited by xjxiao on Wed Mar 19, 2025 8:36 am, edited 1 time in total.
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: Unable to generate input file
Dear Xiangjun,
I do not get exactly what is the problem. Can you be more explicit on the step you did?
If you updated to yambo5.3 I suggest you to restart the calculations from scratch avoiding reading old databases.
If the ndb.kindx has been regenerated, this should be ok.
Best,
Daniele
I do not get exactly what is the problem. Can you be more explicit on the step you did?
If you updated to yambo5.3 I suggest you to restart the calculations from scratch avoiding reading old databases.
If the ndb.kindx has been regenerated, this should be ok.
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/