Code: Select all
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| VERY BAD NEWS! internal error in subroutine BZINTS: Tetrahedron |
| method fails (number of k-points < 4) 2 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
INCAR:
ENCUT = 520.000000
SIGMA = 0.050000
EDIFF = 1.00e-05
ALGO = fast
GGA = PE
PREC = accurate
EFERMI = midgap
ISMEAR = -5
LORBIT = 11
NELM = 150
NELMIN = 3
NSW = 0
IVDW = 12
NEDOS = 5001
LAECHG = .TRUE.
LASPH = .TRUE.
LCHARG = .TRUE.
LWAVE = .TRUE.
LREAL = .FALSE.
KPOINTS:
KPOINTS created by Atomic Simulation Environment
0
Monkhorst-Pack
2 2 2
0 0 0
POSCAR:
C
1.0000000000000000
0.0000000128040216 1.7791658639596684 1.7791658639625925
1.7791658639527810 0.0000000128159660 1.7791658639597869
1.7791658639359635 1.7791658639770385 0.0000000127864157
C
2
Cartesian
-0.0000000069344735 -0.0000000069322343 -0.0000000058567941
0.8895829421076652 0.8895829421204026 0.8895829410339929
POTCAR:
PAW_PBE for C
MS: Made the error message more readable.