ICHARG VASP : Ex-38 DOS 计算(二)
SKU: GJD-132438
ERROR: The charge density could not be read from the CHGCAR file for ICHARG>10." I have double-checked that the file is copied to the correct .... ... VASP/runs/Au/LDA/perfect.21x21x21 directory.
This directory contains the following files. INCAR PREC = High ISTART = 0 ICHARG = 2 ISMEAR = 1 SIGMA = 0.1 ....
第二步，读取上一步的CHGCAR文件（ICHARG=11）。 这样做就避免了直接用高 ... 如果前面计算中保存了WAVECAR，且ISTART没有设置，VASP默认是读取的。.
So I am confused on the setting of ICHARG. I also calculated the band structure with ICARG=0 and 11,respectively and got the same band structure. my question is ....
... ICHARG = 2 # initial charge density: 1-file 2-atom 10-cons 11-DOS ISPIN = 1 # Spin Polarize: 1-No 2-Yes # Electronic Relaxation (SCF) NELM ....
PRICE: RM10
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