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fix the example

This commit is contained in:
Oscar Baseggio 2020-07-15 18:10:05 +02:00
parent c1ade9aaba
commit 00c3664c1a
4 changed files with 607 additions and 607 deletions
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6
TDDFPT/examples/example18/reference/Al.scf.out
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@ -1,5 +1,5 @@
Program PWSCF v.6.5 starts on 15Jul2020 at 16:30:21 Program PWSCF v.6.5 starts on 15Jul2020 at 18: 5:14
This program is part of the open-source Quantum ESPRESSO suite This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite for quantum simulation of materials; please cite
@ -211,7 +211,7 @@
hinit0 : 0.00s CPU 0.00s WALL ( 1 calls) hinit0 : 0.00s CPU 0.00s WALL ( 1 calls)
Called by electrons: Called by electrons:
c_bands : 0.06s CPU 0.07s WALL ( 6 calls) c_bands : 0.06s CPU 0.08s WALL ( 6 calls)
sum_band : 0.01s CPU 0.01s WALL ( 6 calls) sum_band : 0.01s CPU 0.01s WALL ( 6 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 6 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 6 calls)
mix_rho : 0.00s CPU 0.00s WALL ( 6 calls) mix_rho : 0.00s CPU 0.00s WALL ( 6 calls)
@ -243,7 +243,7 @@
PWSCF : 0.12s CPU 0.16s WALL PWSCF : 0.12s CPU 0.16s WALL
This run was terminated on: 16:30:21 15Jul2020 This run was terminated on: 18: 5:14 15Jul2020
=------------------------------------------------------------------------------= =------------------------------------------------------------------------------=
JOB DONE. JOB DONE.

2
TDDFPT/examples/example18/reference/Al.tddfpt.in
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@ -11,7 +11,7 @@
q3 = 0.0 q3 = 0.0
units = 0 units = 0
start = 0.0 start = 0.0
finish = 3.6 end = 3.6
increment = 0.036 increment = 0.036
epsil = 0.1 epsil = 0.1
/ /

1204
TDDFPT/examples/example18/reference/Al.tddfpt.out
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2
TDDFPT/examples/example18/run_example
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@ -135,7 +135,7 @@ cat > $PREFIX.tddfpt.in << EOF
q3 = 0.0 q3 = 0.0
units = 0 units = 0
start = 0.0 start = 0.0
finish = 3.6 end = 3.6
increment = 0.036 increment = 0.036
epsil = 0.1 epsil = 0.1
/ /