[Wien] How to select the appropriate nband in hybrid functionals calculations

[Yifan Ding]

Dear Prof. Fabien，


Thank you very much for reading and helping to solve my question.


I opened the file output.log, and there was only one line in it:


>   stop error


I found the output.log file for a previous successful example of hybrid functional computation, which shows the following:


ec cc and fc_conv 0 1 1
in cycle 2    ETEST: .9176672200000000   CTEST: .0349624
ec cc and fc_conv 0 1 1
in cycle 3    ETEST: .5190131650000000   CTEST: .0400105
ec cc and fc_conv 1 1 1


>   stop
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