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
Bandstructure problem
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- neo
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- Joined: Thu Apr 01, 2010 6:13 am
Bandstructure problem
Last edited by neo on Wed Oct 13, 2010 4:29 am, edited 1 time in total.
- neo
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- Posts: 17
- Joined: Thu Apr 01, 2010 6:13 am
Bandstructure problem
sorry for this stupid question
actually i was not able to run my job properly
sorry once more
actually i was not able to run my job properly
sorry once more
Last edited by neo on Wed Oct 13, 2010 8:03 am, edited 1 time in total.
Bandstructure problem
Dear neo,
It is really hard to tell. It seems to me like a memory issue. Could you please also post your KPOINTS file? Maybe it is not necessary, I believe you must have done the right thing in KPOINTS. Could you please increase the number of the CPU that you use? If this still persists, we may look for other options.
It is really hard to tell. It seems to me like a memory issue. Could you please also post your KPOINTS file? Maybe it is not necessary, I believe you must have done the right thing in KPOINTS. Could you please increase the number of the CPU that you use? If this still persists, we may look for other options.
Last edited by riche on Wed Oct 20, 2010 12:26 pm, edited 1 time in total.
- neo
- Newbie
- Posts: 17
- Joined: Thu Apr 01, 2010 6:13 am
Bandstructure problem
Thanks for your help
when i rerun my job things were fine.
when i rerun my job things were fine.
Last edited by neo on Wed Feb 02, 2011 4:04 am, edited 1 time in total.