ironman1965 发表于 2024-3-16 12:13:09

Error: Failed to read scaling factor from POSCAR file.

尊敬的版主和各位朋友大家好,
我的VASP 版本是6.4.2,vaspkit版本1.5.1
画态密度图时报错:
-->> (01) Reading Input Parameters From INCAR File.
+---------------------------------------------------------------+
|       >>> The Fermi Energy will be set to zero eV <<<         |
+---------------------------------------------------------------+
-->> (02) Reading Fermi-Energy from DOSCAR File.
-->> (03) Reading DOS Data From DOSCAR File.
Error: Failed to read scaling factor from POSCAR file.


我的INCAR 如下:
SYSTEM = CO dimer in a box
ISMEAR = 0   ! Gaussian smearing
LORBIT = 11


POSCAR 如下:
CO dimer in a box
1.0          ! universal scaling parameters
8.0 0.0 0.0! lattice vectora(1)
0.0 8.0 0.0! lattice vectora(2)
0.0 0.0 8.0! lattice vectora(3)
C O
1 1         ! number of atoms for each species
sel         ! selective degrees of freedom are changed
cart          ! positions in cartesian coordinates
0 0 0       F F T! first atom
0 0 1.143   F F T! second atom

所有我不知道哪里出了问题,感谢帮助!
Your help would be highly appreciated!

hertz 发表于 2024-3-16 19:24:54

真巧,我也在看VASP tutorial。把注释都删掉就行了

vaspkit 发表于 2024-3-22 17:30:40

已修复该bug。
页: [1]
查看完整版本: Error: Failed to read scaling factor from POSCAR file.