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

[Giovanni Cantele]

> On 07 Jul 2016, at 14:10, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 
> 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!)

Just for curiosity, because software problems are always intriguing for me,
where is the part that induces the incorrect code behaviour?


> 
>> 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


Thanks, so the printed eigenvalues are definitely 4161!!!!   ;-)

> 
>> 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
> 
> -- 
> 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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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele