Hello,
I have the following hessian input calculations :
-
phonons (vibrational modes) of structure
&inputph
prefix='scf_image_4_ts_001_no_charge',
outdir='scf_image_4_ts_001_no_charge',
filhess='prefix.hess'
step='1.d-3'
/
0.0 0.0 0.0
---
Of course, I have the SC
Hello !
I am doing a phonon calculation with one of my structure, but I always
have the following error
" Electric Fields Calculation
kpoint 1 ibnd 425 solve_e: root not converged 1.291E-02
kpoint 1 ibnd 425 solve_e: root not converged 1.961E-02
kpoint 1 ibnd 425 sol