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    <creator NAME="PWSCF" VERSION="6.7MaX">XML file generated by PWSCF</creator>
    <created DATE="15May2025" TIME=" 8: 2: 3">This run was terminated on:   8: 2: 3  15 May 2025</created>
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      <k_point weight="1.000000000000e0">4.545454545454500e-1 4.723774929733250e-1 3.336333633363302e-2</k_point>
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      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 -6.672667266726605e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 -5.004500450044953e-2</k_point>
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      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 -1.668166816681651e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 0.000000000000000e0</k_point>
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      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 3.336333633363302e-2</k_point>
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      <k_point weight="1.000000000000e0">4.545454545454500e-1 6.823230454059138e-1 8.340834083408255e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 -8.340834083408255e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 -6.672667266726605e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 -5.004500450044953e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 -3.336333633363302e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 -1.668166816681651e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 1.668166816681651e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 3.336333633363302e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 5.004500450044953e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 6.672667266726605e-2</k_point>
      <k_point weight="1.000000000000e0">4.545454545454500e-1 7.872958216222083e-1 8.340834083408255e-2</k_point>
    </k_points_IBZ>
    <ion_control>
      <ion_dynamics>none</ion_dynamics>
      <upscale>1.000000000000000e2</upscale>
      <remove_rigid_rot>false</remove_rigid_rot>
      <refold_pos>false</refold_pos>
    </ion_control>
    <cell_control>
      <cell_dynamics>none</cell_dynamics>
      <pressure>0.000000000000000e0</pressure>
      <wmass>4.901357600000001e2</wmass>
      <cell_factor>0.000000000000000e0</cell_factor>
      <fix_volume>false</fix_volume>
      <fix_area>false</fix_area>
      <isotropic>false</isotropic>
    </cell_control>
    <symmetry_flags>
      <nosym>false</nosym>
      <nosym_evc>false</nosym_evc>
      <noinv>false</noinv>
      <no_t_rev>false</no_t_rev>
      <force_symmorphic>false</force_symmorphic>
      <use_all_frac>false</use_all_frac>
    </symmetry_flags>
  </input>
  <output>
    <convergence_info>
      <scf_conv>
        <convergence_achieved>true</convergence_achieved>
        <n_scf_steps>8</n_scf_steps>
        <scf_error>8.476484594113050e-7</scf_error>
      </scf_conv>
    </convergence_info>
    <algorithmic_info>
      <real_space_q>false</real_space_q>
      <real_space_beta>false</real_space_beta>
      <uspp>true</uspp>
      <paw>false</paw>
    </algorithmic_info>
    <atomic_species ntyp="2" pseudo_dir="/usr/share/espresso/pseudo/">
      <species name="S">
        <mass>3.206000000000000e1</mass>
        <pseudo_file>s_pbe_v1.4.uspp.F.UPF</pseudo_file>
      </species>
      <species name="Ta">
        <mass>1.809478800000000e2</mass>
        <pseudo_file>Ta_pbe_v1.uspp.F.UPF</pseudo_file>
      </species>
    </atomic_species>
    <atomic_structure nat="6" alat="6.304126351752e0">
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        <atom name="S" index="1">0.000000000000000e0 0.000000000000000e0 5.661740411850784e0</atom>
        <atom name="S" index="2">0.000000000000000e0 0.000000000000000e0 1.151587006099747e1</atom>
        <atom name="S" index="3">0.000000000000000e0 0.000000000000000e0 2.283935088469904e1</atom>
        <atom name="S" index="4">0.000000000000000e0 0.000000000000000e0 2.869348053384572e1</atom>
        <atom name="Ta" index="5">3.152378382193373e0 1.819662538673660e0 8.588805236424125e0</atom>
        <atom name="Ta" index="6">-3.152063175875784e-4 3.639871030563083e0 2.576641570927238e1</atom>
      </atomic_positions>
      <cell>
        <a1>6.304126351751569e0 0.000000000000000e0 0.000000000000000e0</a1>
        <a2>-3.152063175875785e0 5.459533569283778e0 0.000000000000000e0</a2>
        <a3>0.000000000000000e0 0.000000000000000e0 3.435522094569651e1</a3>
      </cell>
    </atomic_structure>
    <symmetries>
      <nsym>8</nsym>
      <nrot>24</nrot>
      <space_group>0</space_group>
      <symmetry>
        <info name="identity" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          1 2 3 4 5 6
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 -4.999999999999999e-1</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          3 4 1 2 6 5
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cryst. axis [1,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 -4.999999999999999e-1</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          2 1 4 3 5 6
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cryst. axis [1,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
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        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          4 3 2 1 6 5
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inversion" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          4 3 2 1 6 5
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,0,1]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
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        <fractional_translation>0.000000000000000e0 0.000000000000000e0 -4.999999999999999e-1</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          2 1 4 3 5 6
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cryst. axis [1,-1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 -4.999999999999999e-1</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          3 4 1 2 6 5
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cryst. axis [1,1,0]" class="not found">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
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          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="6" size="6">
          1 2 3 4 5 6
          </equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cryst. axis [2,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cryst. axis [0,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,0,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 60 deg rotation - cryst. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 60 deg rotation - cryst. axis [0,0,-1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,0,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv.  60 deg rotation - cryst. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv.  60 deg rotation - cryst. axis [0,0,-1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
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          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cryst. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
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      </symmetry>
      <symmetry>
        <info name="inv. 120 deg rotation - cryst. axis [0,0,-1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
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      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cryst. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
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          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
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      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cryst. axis [2,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
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      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cryst. axis [0,1,0]" class="not found">lattice_symmetry</info>
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      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cryst. axis [0,0,-1]" class="not found">lattice_symmetry</info>
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      </symmetry>
    </symmetries>
    <basis_set>
      <gamma_only>false</gamma_only>
      <ecutwfc>1.000000000000000e1</ecutwfc>
      <ecutrho>4.000000000000000e1</ecutrho>
      <fft_grid nr1="18" nr2="18" nr3="100"></fft_grid>
      <fft_smooth nr1="18" nr2="18" nr3="100"></fft_smooth>
      <fft_box nr1="18" nr2="18" nr3="100"></fft_box>
      <ngm>14227</ngm>
      <ngms>14227</ngms>
      <npwx>1821</npwx>
      <reciprocal_lattice>
        <b1>1.000000000000000e0 5.773502691896252e-1 0.000000000000000e0</b1>
        <b2>0.000000000000000e0 1.154700538379250e0 0.000000000000000e0</b2>
        <b3>0.000000000000000e0 0.000000000000000e0 1.834983498349835e-1</b3>
      </reciprocal_lattice>
    </basis_set>
    <dft>
      <functional>PBE</functional>
    </dft>
    <magnetization>
      <lsda>false</lsda>
      <noncolin>false</noncolin>
      <spinorbit>false</spinorbit>
      <total>0.000000000000000e0</total>
      <absolute>0.000000000000000e0</absolute>
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  <timing_info>
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  </timing_info>
  <closed DATE="15 May 2025" TIME=" 8: 2: 4"></closed>
</qes:espresso>
