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VASP-error-fix

Typical VASP errors encountered and fix associated with them. Usually encountered and fixed with v5.4.4.

Error: forrtl: severe (71): integer divide by zero

Solution: Usually it is faced with LSORBIT = .TRUE. with PREC = Normal. Usually setting PREC = Accurate resolves the issue.

Caveat: For GW calculations, PREC = Accurate increases the memory requirement by manifold.

Error: scaLAPACK: Routine ZPOTRF ZTRTRI failed!

Solution: Usually the solution is to change ALGO tag to something else. But if this happens during many bands step of single shot GW (G0W0), then changing ALGO is not possible as for this step exact diagonalization is needed. The solution is to change ALGO from Exact to Damped. According to VASP documentation, Damped also does exact diagonalization.

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