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Mo2 S4
1.0000000000000000
3.1823895561796767 0.0000000000000000 0.0000000000000000
-1.5911947780898383 2.7560302004322383 -0.0000000000000000
0.0000000000000000 0.0000000000000000 14.9674269247936174
Mo/e91eef5e768 S/0fc7481fb069
1 2
Direct
0.3333333433349210 0.6666666866698421 0.2479833920666650
0.6666666864030972 0.3333333431539529 0.3522397417098486
0.6666666864030972 0.3333333431539529 0.1437270424901516

0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00

My question is why Mo S changed to Mo/e91eef5e768 S/0fc7481fb069? does it mean calculation is wrong? When I copy to that file POSCAR should I correct this?
I run my simulation on Core i7 wsl ubuntu with -np 10.

Hi,

That line is the name of the ions for making it easier to read. It is not read by VASP, so it won't change the results of the calculation. When copying to POSCAR, you only need to clean it up if you want to.

I'm not sure why it happened though. It's a hexadecimal number, so it looks like the location of something on your computer. Could you upload your POSCAR, POTCAR, KPOINTS, INCAR, OUTCAR, runscript (if used) and stdout files, please, then we can check to see why this has happened?

Best,

Chris

It seems that this is a known issue in VASP 6.4.2 (forum/viewtopic.php?f=4&t=19108, forum/viewtopic.php?f=3&t=19113). Which version of VASP are you using? This has been fixed in VASP 6.4.3