negative lambda values

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sdwang
Posts: 22
Joined: Mon Dec 26, 2016 10:49 am
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negative lambda values

Post by sdwang »

Dear developers,
I noticed in the output of lambda.phself, some values are nagetive like:
1 0.00000E+00 0.00000E+00 0.00000E+00 0.24303E-01 0.24304E-01 0.17501E-01 0.56506E-01 0.61853E-01 0.65593E-01 0.15811E-01 0.16268E-01
2 -0.62647E+03 -0.25536E+02 0.10296E+01 0.19844E+00 0.91261E-01 0.20816E+00 0.17901E+00 0.10186E+00 0.57763E-01 0.65311E-01 0.10296E+00
3 -0.16120E+03 -0.57727E+01 0.23397E+01 0.34461E+00 0.15663E+00 0.24157E+00 0.29409E+00 0.11971E+00 0.62909E-01 0.12782E+00 0.19709E+00
...

What the problem could be?
Thanks!

Shudong

carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
Affiliation:

Re: negative lambda values

Post by carla.verdi »

Dear Shudong,

If delta_approx = .false. as by default, lambda is not necessarily positively defined. You could try with denser meshes and/or different values of degaussw.

Best
Carla

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