Why so many files are generated when calculating optical properties?
Posted: Wed May 03, 2023 10:48 am
I calculated the optical properties using the following commands (inside the save folder that contains data-file-schema.xml):
but when I check the results so many o.eels_q_ip and o.eps_q_ip files are generated like bellow:
Where is this problem coming from please? and how can I fix it?
PS: I didn't use wf_collect=.true. in scf input file because this variable is no more implemented in Quantum ESPRESSO, also I'm working with hybrid functionals
Code: Select all
$ .../.../...p2y'
../.../...yambo'
../.../...yambo ' -o c
../.../...yambo'
Code: Select all
$ ls
charge-density.dat o.eel_q5_ip o.eps_q4_ip wfc15.dat
S_ONCV_PBE-1.0.UPF o.eel_q6_ip o.eps_q5_ip wfc16.dat
data-file-schema.xml o.eel_q7_ip o.eps_q6_ip wfc1.dat
P_ONCV_PBE-1.0.UPF o.eel_q8_ip o.eps_q7_ip wfc2.dat
o.eel_q10_ip o.eel_q9_ip o.eps_q8_ip wfc3.dat
o.eel_q11_ip o.eps_q10_ip o.eps_q9_ip wfc4.dat
o.eel_q12_ip o.eps_q11_ip r_optics_dipoles_chi wfc5.dat
o.eel_q13_ip o.eps_q12_ip r_optics_dipoles_chi_01 wfc6.dat
o.eel_q14_ip o.eps_q13_ip r_setup wfc7.dat
o.eel_q15_ip o.eps_q14_ip SAVE wfc8.dat
o.eel_q16_ip o.eps_q15_ip wfc10.dat wfc9.dat
o.eel_q1_ip o.eps_q16_ip wfc11.dat yambo.in
o.eel_q2_ip o.eps_q1_ip wfc12.dat
o.eel_q3_ip o.eps_q2_ip wfc13.dat
o.eel_q4_ip o.eps_q3_ip wfc14.dat
PS: I didn't use wf_collect=.true. in scf input file because this variable is no more implemented in Quantum ESPRESSO, also I'm working with hybrid functionals