[Pw_forum] "Too many g vector" error in vc-relax

Mohammadreza Karamad karamadr at gmail.com
Wed Mar 22 07:27:14 CET 2017


Hi,

I am attempting to optimize unit cell for a H2MnO4 compound using
vc-relax in ase-espresso. I have got the following strange error:
"too many g-vectors"
I have used a e-cut of 45 Ry. I think this error has some thing to do
with the e-cut.

During cell relaxation, it seems that the size of the cell changes
significantly by ~10 Angstrom^3.

The have taken a cell_factor of 5,much larger than the default value, i.e.,1.2.

Any help will be appreciated,

Best,

Reza
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