Bandstructure problem
Posted: Wed Oct 13, 2010 4:29 am
hi all
i am doing a surface calculation which involves 125 atoms in the supercell. I am able to run scf run and calculate density of states. But when I tried to calculate bandstructure the EIGENVAL file is not written. The INCAR file is
NWRITE = 2
ISTART = 1
ICHARG = 11
ENCUT = 300
IALGO = 48
ISMEAR = 0 ; SIGMA = 0.1
NPAR = 1
LPLANE = .TRUE.
LREAL = Auto
NBANDS = 410
the error message displayed is
######################################################################
PROGRAM PLOTBAND: zeichnet Bandstrucktur
Plotlabel:
forrtl: severe (24): end-of-file during read, unit 1, file /home1/ashutosh/vasp/work/25_quin_layers/band/EIGENVAL
Image PC Routine Line Source
drawband_xmgr.x 000000000046535E Unknown Unknown Unknown
drawband_xmgr.x 000000000046455A Unknown Unknown Unknown
drawband_xmgr.x 000000000042EE42 Unknown Unknown Unknown
drawband_xmgr.x 000000000040A38E Unknown Unknown Unknown
drawband_xmgr.x 00000000004099AA Unknown Unknown Unknown
drawband_xmgr.x 000000000041C490 Unknown Unknown Unknown
drawband_xmgr.x 0000000000403745 Unknown Unknown Unknown
drawband_xmgr.x 0000000000402962 Unknown Unknown Unknown
libc.so.6 000000361DA1C4BB Unknown Unknown Unknown
drawband_xmgr.x 00000000004028AA Unknown Unknown Unknown
#######################################################################
If somebody knows then please reply
Thanks in advance
i am doing a surface calculation which involves 125 atoms in the supercell. I am able to run scf run and calculate density of states. But when I tried to calculate bandstructure the EIGENVAL file is not written. The INCAR file is
NWRITE = 2
ISTART = 1
ICHARG = 11
ENCUT = 300
IALGO = 48
ISMEAR = 0 ; SIGMA = 0.1
NPAR = 1
LPLANE = .TRUE.
LREAL = Auto
NBANDS = 410
the error message displayed is
######################################################################
PROGRAM PLOTBAND: zeichnet Bandstrucktur
Plotlabel:
forrtl: severe (24): end-of-file during read, unit 1, file /home1/ashutosh/vasp/work/25_quin_layers/band/EIGENVAL
Image PC Routine Line Source
drawband_xmgr.x 000000000046535E Unknown Unknown Unknown
drawband_xmgr.x 000000000046455A Unknown Unknown Unknown
drawband_xmgr.x 000000000042EE42 Unknown Unknown Unknown
drawband_xmgr.x 000000000040A38E Unknown Unknown Unknown
drawband_xmgr.x 00000000004099AA Unknown Unknown Unknown
drawband_xmgr.x 000000000041C490 Unknown Unknown Unknown
drawband_xmgr.x 0000000000403745 Unknown Unknown Unknown
drawband_xmgr.x 0000000000402962 Unknown Unknown Unknown
libc.so.6 000000361DA1C4BB Unknown Unknown Unknown
drawband_xmgr.x 00000000004028AA Unknown Unknown Unknown
#######################################################################
If somebody knows then please reply
Thanks in advance