Dear Users and Developers
I am obtaining a error in version 4.1.2 that I did not get with version 4.0.3
from phq_setup : error # 1
third order derivatives not implemented with GGA
Any idea why this shows up in 4.1.2 and not on 4.0.3. Does 4.0.3 have a bug?
the input file is this one:
&inputph
outdir = '/dev/shm/clr/ti',
tr2_ph=1.0d-14,
alpha_mix=0.1,
fildvscf='tidv',
fildyn='ti.dyn',
ldisp=.true.
epsil=.true.
lraman=.true.
reduce_io = .true.
nq1=1, nq2=1 nq3=1
/
Best reagards,
--
Carlos Loia Reis
Centro de F?sica Te?rica e Computacional
Complexo Interdisciplinar da Universidade de Lisboa
Av. Prof. Gama Pinto, 2
P-1649-003 Lisboa, Portugal.
