[Pw_forum] Plotband.x print 'cross' bands

[Meena Rittiruam]

Dear Lorenzo Paulatto

Thank you very much

2017-02-28 17:31 GMT+07:00 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>
:

> On Tuesday, February 28, 2017 4:29:50 AM CET Meena Rittiruam wrote:
> > It show cross in bands.
>
> Dear Meena,
> discriminating bands crossings from avoided crossings is not a trivial
> tasks.
>
> Three strategies are possible:
> 1. sort the bands in order of energy (i.e. do nothing)
> 2. use symmetry
> 3. use overlap of wavefunctions at consecutive points
>
> bands.x can take all these thre eapproaches, if lsym and/or no_overlap are
> set
> to .true. or .false. See <http://www.quantum-espresso.
> org/wp-content/uploads/
> Doc/INPUT_BANDS.html>.
>
> But in the end there is only one way to fix the problem for good: put more
> points in your path.
>
> hth
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 442 79822 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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