Dear Dr. Postnikov and Ravi,

thanks for your reply.

It is odd, I have already followed what you mentioned in your emails
1. same systemlabel  2. same folder 3. not preceding by a false XV using
command !!!!
Still I receive the warning !!!!

below is my input:

SystemName    GaNPSS
SystemLabel    GaNPSS

NumberOfSpecies    4
NumberOfAtoms   72

%block ChemicalSpeciesLabel
         ;;;;;;;;;;;;
          ;;;;;;;;;;;
%endblock ChemicalSpeciesLabel

%block    PAO.BasisSizes
  ;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
%endblock PAO.BasisSizes

Diag.Divide-and-Conquer F

LatticeConstant     1 Ang
%block LatticeParameters
;;;;;;;;;;;;;;;;;;;;;;;  90 90 90
%endblock LatticeParameters

AtomicCoordinatesFormat    Ang
%block AtomicCoordinatesAndAtomicSpecies
  ;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
%endblock AtomicCoordinatesAndAtomicSpecies

%block kgrid_Monkhorst_Pack
   2  0  0  0
   0  2  0  0
   0  0  12  0
%endblock kgrid_Monkhorst_Pack


XC.functional         LDA
XC.authors            CA

Solution.Method       diagon
MeshCutoff             400 Ry

DM.Tolerance           1.d-5
DM.NumberPulay         3
MaxSCFIterations       150

WriteCoorStep      .true.
WriteForces        .true.
WriteKbands        .true.
WriteCoorXmol      .true.
WriteBands         .true.

MD.TypeOfRun         CG
MD.VariableCell     .false.
MD.NumCGsteps          0
MD.MaxForceTol       0.01 eV/Ang
DM.MixingWeight      0.1
MD.UseSaveXV         .true.
UseSaveData          .true.

Regards,

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