Hi Pablo, Pablo Aguado wrote: > > My question is, what are the meanings of the variables delgep and > cutplot? Because I can't find them in the input file description.
About the first question, please follow the thread: http://www.democritos.it/pipermail/pw_forum/2008-December/010899.html Quick answer: delgep is used to fix a problem with a LAPACK subroutine. In general you don't need to specify a value for it, you may need to increase if that specific problem arises with your copy of the LAPACK. About the second, from what I see in the code cutplot should be a cutoff on the imaginary part of a k_z vector used when writing complex bands to a separate output file. It does not modify the results of the transmission calculation by any means. I think this option should be documented in Doc/INPUT_PWCOND.def, but presently it is not. GS > > Thank you in advance > > Pablo > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
