terminated SCF calculations

[danish_javed]

I am currently performing a self-consistent field (SCF) calculation in VASP, but unfortunately, the calculation stopped unexpectedly after completing 54 iterations without converging. I would like to know how I can resume the calculation from where it stopped, rather than starting from the beginning.

[marie-therese.huebsch]

Hi,
if the calculation is aborted without writing restart information (e.g. the WAVECAR, vaspwave.h5, CHGCAR file, etc), there is no way to salvage the calculation:/

If you know that the calculation will be interrupted, e.g., due to a scheduled outage or limited wall time, you can use a STOPCAR file to intervene beforehand.

If restart files are present you can select different modes of restating. See ICHARG and ISTART.

Does this answer your question?

Marie-Therese

[danish_javed]

yes i know we can start from previous CHGCAR and WAVECAR file with ISTART=1 nad ICHARGE=11 to read previous data,,i am not clear is it correct or not?my calculation will be correct or not?and remeber it is SCF calculation and terminated after 54 iterations i want to start where it terminated. thanks