[交流] 【求助成功】关于LORBIT的几个问题

gleerat@gleerat-desktop:~/vasp/accurate$ band EIGENVAL
Spin polarized calculation? (no=1,yes=2):
1
Enter the range of energy to plot:
-9.4381
3.7466   
Enter the value of fermi energy:
2.2863
At line 96 of file band-procar.f (unit = 7, file = 'PROCAR')
Fortran runtime error: Bad value during integer read
gleerat@gleerat-desktop:~/vasp/accurate$

Spin polarized calculation? (no=1,yes=2):
1
  Enter fermi energy:
5.3896
which atom (na) you want to plot LDOS:
16
enter the gaussian smearing factor:
0

System = CaFe2As2
PREC = Normal
ISPIN = 1
ISTART = 0
ICHARG = 2
EDIFF = 0.1E-4
ISIF = 2
ISMEAR = 1
LORBIT = 11
SGIMA = 0.2
RWGIS = 1.92

System = CaFe2As2
PREC = accurate
ISPIN = 1
ISTART = 0
ICHARG = 2
EDIFF = 0.1E-4
ISIF = 2
ISMEAR = 1
SGIMA = 0.2
RWIGS = 1.92
LORBIT = 11

gleerat@gleerat-desktop:~/vasp/accurate$ vasp
vasp.4.6.35 3Apr08 complex
POSCAR found :  3 types and    8 ions
Error reading item 'RWIGS' from file INCAR.
Error code was IERR=0 ... . Found N=    1 data.

At line 96 of file band-procar.f (unit = 7, file = 'PROCAR')
Fortran runtime error: Bad value during integer read