I have tried to relax volume of the cell with the command ISIF=3.IBRION=2.Now after the completion of this vasp run,I wanted to plot band str and DOS and so I went with ISTART=1 and ICHARGE=11 with coping IBZKPT to KPOINTS and CONTCAR to POSCAR.But in the output I got some error
" WARNING: dimensions on CHGCAR file are different
ERROR: charge density could not be read from file CHGCAR for ICHARG>10"
Can you please tell me the mistake I have done in the whole process or if I want to relax volume as well as optimize atomic positions and after that if I want to plot DOS,what is the procedure?
volume relaxation
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saswata
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volume relaxation
Last edited by saswata on Mon Jul 30, 2007 2:30 am, edited 1 time in total.