[Pw_forum] Plotband.x print 'cross' bands

[Lorenzo Paulatto]

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
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