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[交流] About" WARNING: Sub-Space-Matrix is not hermitian in DAV"已有3人参与

When doing first-principles calculations using VASP, a WARNING may appear as:
WARNING: Sub-Space-Matrix is not hermitian in DAV          30
-1.592123850061094E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV          31
-5.102685704586643E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV          32
  1.428807963569373E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV          17
  4.581294054245336E-003

In some cases, if you check your POSCAR file, you may findthat, in your POSCAR, the crystal basis appears as below:
   5.5934434381626152 0.0000033995877455 -0.0000027427812035
   0.0000033959563804 5.5891744011633593 -0.0000009349116204
-0.0000033829316228 -0.0000011549104031 6.8930525470221893

A possible solution to this warning is: you open your POSCAR using VESTA code, then export the files in the format of vasp.
Then you will find that your crystal basis now changes to:
      5.5934433937       0.0000000000       0.0000000000
      0.0000066982       5.5891742706       0.0000000000
   -0.0000064251       -0.0000027536       6.8930525780

using this new POSCAR, you do the VASP calculation again, the WARNING may vanish.
Good luck, and thanks a lot!

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