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# Generated by Phonopy
&FORCE_EVAL
METHOD QS
STRESS_TENSOR ANALYTICAL
&PRINT
&FORCES
FILENAME forces
&END FORCES
&STRESS_TENSOR ON
FILENAME __STD_OUT__
&END STRESS_TENSOR
&END PRINT
&SUBSYS
&KIND O
BASIS_SET TZVP-GTH-q6
POTENTIAL GTH-PBE-q6
&END KIND
&KIND Si
BASIS_SET TZVP-GTH-q4
POTENTIAL GTH-PBE-q4
&END KIND
&PRINT
&ATOMIC_COORDINATES ON
&END ATOMIC_COORDINATES
&END PRINT
&COORD
Si 2.3162255229945146 0.0 3.6695568257685047
Si 1.3323390752693829 2.307678971275906 0.0
Si 3.8227909120360226 2.0059101438071467 1.834778412884252
O 1.3512171136916002 1.1883812172809407 4.282678462181227
O 2.8440116034664102 2.5492101599573704 0.6131216364127217
O 3.276126793141911 0.5759977378447414 2.447900049296974
O -1.13923472307504 3.125207897802112 3.056435189355782
O 0.7856749563752703 3.7375913772383114 4.891213602240035
O 0.3535597666997692 1.764378955125682 1.2216567764715303
&END COORD
&CELL
A 4.9809036735332795 0.0 0.0
B -2.4904518367666397 4.313589115083053 0.0
C 0.0 0.0 5.504335238652757
ALPHA_BETA_GAMMA 90.0 90.0 90.0
PERIODIC XYZ
&END CELL
&END SUBSYS
&DFT
BASIS_SET_FILE_NAME /home/USER/GTH_BASIS_SETS
BASIS_SET_FILE_NAME /home/USER/BASIS_MOLOPT_UCL
POTENTIAL_FILE_NAME /home/USER/GTH_POTENTIALS
&PRINT
&MOMENTS ON
&END MOMENTS
&END PRINT
&XC
&XC_GRID
XC_DERIV NN50_SMOOTH
&END XC_GRID
&XC_FUNCTIONAL
&PBE
SCALE_X 1.0
SCALE_C 1.0
&END PBE
&END XC_FUNCTIONAL
&END XC
&SCF
SCF_GUESS ATOMIC
EPS_SCF 1e-08
MAX_SCF 50
&OUTER_SCF
MAX_SCF 50
EPS_SCF 1e-08
&END OUTER_SCF
&OT .TRUE.
MINIMIZER CG
LINESEARCH 3PNT
PRECONDITIONER FULL_SINGLE_INVERSE
ENERGY_GAP 0.1
&END OT
&MIXING
ALPHA 0.3
METHOD BROYDEN_MIXING
NBUFFER 8
&END MIXING
&DIAGONALIZATION .FALSE.
&END DIAGONALIZATION
&END SCF
&QS
EPS_DEFAULT 1e-15
EXTRAPOLATION PS
EXTRAPOLATION_ORDER 3
METHOD GPW
&END QS
&MGRID
CUTOFF 1000.0
REL_CUTOFF 60.0
&END MGRID
&END DFT
&END FORCE_EVAL
&GLOBAL
PROJECT_NAME SiO2
PRINT_LEVEL LOW
RUN_TYPE ENERGY_FORCE
WALLTIME 08:55:00
&END GLOBAL
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