Dear Wang,
is it possible to use VASP6.3 with irvsp and vasp2trace?
I tried using irvsp with VASP6.3 but it crashed while reading OUTCAR.
It gives me following error:
forrtl: severe (24): end-of-file during read, unit 20, file /home/Bi2Se3-nSOC/OUTCAR
Image PC Routine Line Source
irvsp 000000000042A2A8 Unknown Unknown Unknown
irvsp 0000000000453B02 Unknown Unknown Unknown
irvsp 0000000000404281 struct_data_mp_in 60 init.f90
irvsp 00000000004115C3 symm_mp_ssym_ 128 symm.f90
irvsp 000000000041751C MAIN__ 28 irrep.f90
irvsp 00000000004038A2 Unknown Unknown Unknown
libc-2.31.so 000014B4535E20B3 __libc_start_main Unknown Unknown
irvsp 00000000004037AE Unknown Unknown Unknown
which is probably due to change in OUTCAR format.
I could not find the "Space group operator" in my OUTCAR file as shown in https://doi.org/10.1016/j.cpc.2020.107760.
Looking forward for your help.
Dear Wang,
is it possible to use VASP6.3 with irvsp and vasp2trace?
I tried using irvsp with VASP6.3 but it crashed while reading OUTCAR.
It gives me following error:
forrtl: severe (24): end-of-file during read, unit 20, file /home/Bi2Se3-nSOC/OUTCAR
Image PC Routine Line Source
irvsp 000000000042A2A8 Unknown Unknown Unknown
irvsp 0000000000453B02 Unknown Unknown Unknown
irvsp 0000000000404281 struct_data_mp_in 60 init.f90
irvsp 00000000004115C3 symm_mp_ssym_ 128 symm.f90
irvsp 000000000041751C MAIN__ 28 irrep.f90
irvsp 00000000004038A2 Unknown Unknown Unknown
libc-2.31.so 000014B4535E20B3 __libc_start_main Unknown Unknown
irvsp 00000000004037AE Unknown Unknown Unknown
which is probably due to change in OUTCAR format.
I could not find the "Space group operator" in my OUTCAR file as shown in https://doi.org/10.1016/j.cpc.2020.107760.
Looking forward for your help.