[Pw_forum] question on output for nscf calculation and high verbosity

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jul 7 14:10:29 CEST 2016

On Thu, Jul 7, 2016 at 1:34 PM, Giovanni Cantele
<giovanni.cantele at spin.cnr.it> wrote:

> The “417” could be understood (...) saying that because I’m using 10 pools and
> 417 ~ 4161 / 10, the section "Computing kpt #:” is printed only by the first pool

correct (I mean: your statement, not the behavior of the code which is
not correct!)

> The 1431 is instead more difficult to understand.

there might be a minus sign where you assume a blank. Try for instance
 grep -e ". k = " -e ". k =-"MYOUTPUT | wc

> Last question: If in this case I would like not to repeat the calculation,
> apart from writing a script to read all the K*/eigenval.xml, is there any
> other way to get all the already computed eigenvalues to compute the DOS?

Unfortunately there is currently no other way. In the next version,
the eigenvalues will be written in the same file and no longer in 4161
different files


Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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