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tiantian000

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[求助] castep计算时，总出现Warning，是怎么回事？

用castep计算时，总出现Warning提示而无法出现结果，是怎么回事？
如：
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.
      1  -2.24565699E+003  1.35729596E+001 1.54104876E+002    2.78  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   2  -2.25155944E+003  1.29707414E+001 2.95122401E+000    3.52  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   3  -2.25158648E+003  1.29685270E+001 1.35222486E-002    4.14  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   4  -2.25089798E+003  1.07874540E+001  -3.44248329E-001    4.92  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   5  -2.24961606E+003  1.21310197E+001  -6.40961363E-001    5.77  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   6  -2.24956641E+003  1.18968688E+001  -2.48282166E-002    6.62  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   7  -2.24956903E+003  1.18509963E+001 1.31383282E-003    7.50  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   8  -2.24956778E+003  1.18994336E+001  -6.25836128E-004    8.30  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   9  -2.24956777E+003  1.18992122E+001  -6.80222123E-006    9.09  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   10  -2.24956776E+003  1.18958345E+001  -3.72829382E-006    9.80  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   11  -2.24956776E+003  1.18953396E+001  -2.34222393E-008    10.36  <-- SCF
Warning: There are no empty bands for at least one kpoint and spin; this may
      slow the convergence and/or lead to an inaccurate groundstate.
      If this warning persists, you should consider increasing nextra_bands
      and/or reducing smearing_width in the param file.
      Recommend using nextra_bands of 6 to 11.

   12  -2.24956776E+003  1.18954702E+001 7.15737539E-009    10.94  <-- SCF

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