Hi,
I tried to use the VESTA command interface to convert a POSCAR to the corresponding VESTA file on Windows. The test structure is monolayer MoS2. The command line below successfully generated the VESTA file without any error incurred. But when I drag the generated VESTA file into the VESTA GUI, the GUI just crashes. I would appreciate it if anyone can help to solve this issue.
The command line used to convert POSCAR to a vesta file:
'.\VESTA - Shortcut.lnk' -nogui -open POSCAR -save *.vesta POSCAR_win_vesta_command_interface.vesta
where '.\VESTA - Shortcut.lnk' is just a link to the VESTA.exe file.
-----------------------------------------------
POSCAR:
Mo1 S2
1.0
3.196223 0.000000 0.000000
-1.598112 2.768010 0.000000
0.000000 0.000000 23.129830
Mo S
1 2
direct
0.666667 0.333333 0.500000 Mo
0.333333 0.666667 0.432137 S
0.333333 0.666667 0.567863 S
----------------------------------------------
POSCAR_win_vesta_command_interface.vesta
#VESTA_FORMAT_VERSION 3.5.4
ATOMT
0 0 0 0 0 0
SCENE
1.000000 0.000000 0.000000 0.000000
0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 1.000000 0.000000
0.000000 0.000000 0.000000 1.000000
0.000 0.000
0.000
1.000
HBOND 0 2
STYLE
DISPF 37753794
MODEL 0 1 0
SURFS 0 1 1
SECTS 32 1
FORMS 0 1
ATOMS 0 0 1
BONDS 1
POLYS 1
VECTS 1.000000
FORMP
1 1.0 0 0 0
ATOMP
24 24 0 50 2.0 0
BONDP
1 16 0.250 2.000 127 127 127
POLYP
204 1 1.000 180 180 180
ISURF
0 0 0 0
TEX3P
1 0.00000E+00 1.00000E+00
SECTP
1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
CONTR
0.1 -1 1 1 10 -1 2 5
2 1 2 1
0 0 0
0 0 0
0 0 0
0 0 0
HKLPP
192 1 1.000 255 0 255
UCOLP
0 1 1.000 0 0 0
COMPS 1
LABEL 1 12 1.000 0
PROJT 0 0.962
BKGRC
255 255 255
DPTHQ 1 -0.5000 3.5000
LIGHT0 1
1.000000 0.000000 0.000000 0.000000
0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 1.000000 0.000000
0.000000 0.000000 0.000000 1.000000
0.000000 0.000000 20.000000 0.000000
0.000000 0.000000 -1.000000
26 26 26 255
179 179 179 255
255 255 255 255
LIGHT1
1.000000 0.000000 0.000000 0.000000
0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 1.000000 0.000000
0.000000 0.000000 0.000000 1.000000
0.000000 0.000000 20.000000 0.000000
0.000000 0.000000 -1.000000
0 0 0 0
0 0 0 0
0 0 0 0
LIGHT2
1.000000 0.000000 0.000000 0.000000
0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 1.000000 0.000000
0.000000 0.000000 0.000000 1.000000
0.000000 0.000000 20.000000 0.000000
0.000000 0.000000 -1.000000
0 0 0 0
0 0 0 0
0 0 0 0
LIGHT3
1.000000 0.000000 0.000000 0.000000
0.000000 1.000000 0.000000 0.000000
0.000000 0.000000 1.000000 0.000000
0.000000 0.000000 0.000000 1.000000
0.000000 0.000000 20.000000 0.000000
0.000000 0.000000 -1.000000
0 0 0 0
0 0 0 0
0 0 0 0
SECCL 0
TEXCL 0
ATOMM
204 204 204 255
25.600
BONDM
255 255 255 255
128.000
POLYM
255 255 255 255
128.000
SURFM
0 0 0 255
128.000
FORMM
255 255 255 255
128.000
HKLPM
255 255 255 255
128.000
------------------------------------------------------------
Best regards,
Tong