According to the manual
1.copy Al-Ti as lat.in
2.copy the parameter as vasp.wrap
3.open the termianal windows,type maps -d &
4. type ready
5.the folder named ‘‘0’’ appears
6.type cd 0
7.type runstrct_vasp
although the code runs,the vasp file can be created,and the energy E0 in OSZICAR can be copied to the file energy, an error occour ‘’ Error extracting info from vasp files ‘’.
How I can fix the error?
And typing’’ touch ready’’ for 5 times, the other fill appear,but the predstr.out exist an error.
0.000000 -0.376278 -0.036633 0 eg
0.666667 0.000000 0.016849 ? u
0.333333 0.000000 0.156860 ? u
0.333333 0.000000 0.146604 ? u
0.666667 0.000000 0.157960 ? u
0.250000 0.000000 -0.005038 10 eg
0.500000 0.000000 0.003479 ? ug
0.750000 0.000000 0.011996 ? u
0.250000 0.000000 0.075773 ? u
0.500000 0.000000 0.165102 ? u
0.750000 0.000000 0.092808 ? u
0.250000 0.000000 0.075773 ? u
0.750000 0.000000 0.092808 ? u
0.250000 0.000000 0.181607 ? u
0.500000 0.000000 0.238222 ? u
0.750000 0.000000 0.198641 ? u
0.250000 0.000000 0.108487 ? u
0.500000 0.000000 0.091983 ? u
0.750000 0.000000 0.125522 ? u
0.250000 0.000000 0.100795 ? u
0.500000 0.000000 0.076598 ? u
0.750000 0.000000 0.117829 ? u
0.250000 0.000000 0.214320 ? u
0.750000 0.000000 0.231355 ? u
0.200000 0.000000 -0.011357 ? ug