[Phonopy-users] Error with vasprun.xml
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From: <oac...@pr...> - 2020-08-03 09:23:49
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Dear phonopy users, I am trying to calculate lattice thermal conductivity using phono3py (v 1.19) and VASP (v 5.4.4). I am trying to collect vasprun.xml after successful runs of VASP for supercell force calculations and I am getting next error: "Runtime error: vasprun.xml doesn't contain force information". My INCAR file: PREC = Accurate GGA = PS IBRION = -1 ENCUT = 300 EDIFF = 1.000000e-08 ISMEAR = 0 SIGMA = 5.000000e-02 IALGO = 38 LREAL = AUTO ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 2 How to solve this problem? With best wishes, Oleg Achakovskiy. |