[Pw_forum] wavefunction coefficients

[O. Baris Malcioglu]

Dear Karoly,

> the norm of the coefficients vector is not one, but, e.g. 0.87449.

I do not know the intrinsic of pw2casino, but I hope you are making
sure the changed metric (i.e. S in USPPs) is taken into account in
your calculation.

For example, In the example I have sent you previously, you will have
to calculate it separately using init_us* calbec spsi et al.
Normally, pwscf considers the metric within a reduced superoperator
like (( H - e S ) * evc = 0 ). Please have a look at PW/regterg.f90
for details.

O. Baris Malcioglu.
SISSA CM Sector