internal error : SETUP_PRIMITIVE_CELL
Posted: Thu Nov 16, 2023 2:18 pm
Hello,
I have this kind of error in my vasp.log file
" LDA part: xc-table for Pade appr. of Perdew
internal error in VASP: SETUP_PRIMITIVE_CELL, Primitive cell atom 2 could not be found.
try to change SYMPREC in the INCAR file, or better improve precision of the PO
SCAR file
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...
reading WAVECAR
the WAVECAR file was read successfully
RSPHER: internal ERROR: 17 -7 1 -7"
Did someone encountered it yet ? Would you know how to overcome it ?
Thanks and best,
Marco
I have this kind of error in my vasp.log file
" LDA part: xc-table for Pade appr. of Perdew
internal error in VASP: SETUP_PRIMITIVE_CELL, Primitive cell atom 2 could not be found.
try to change SYMPREC in the INCAR file, or better improve precision of the PO
SCAR file
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...
reading WAVECAR
the WAVECAR file was read successfully
RSPHER: internal ERROR: 17 -7 1 -7"
Did someone encountered it yet ? Would you know how to overcome it ?
Thanks and best,
Marco