I run a test with IALGO = -1 with vasp 4.6.36 and vasp 5.2.12. With the vasp 5 version I got this error message. What does it mean ?
Code: Select all
All results refer to a run over all bands and one k-point
VNLACC non local part of H
PROJ calculate projection of all bands (contains FFTWAV)
RACC non local part of H in real space (contains FFTEXT)
RPRO calculate projection of all bands in real space
both calls contain on FFT (to be subtracted)
FFTWAV FFT of a wavefunction to real space
FFTEXT FFT to real space
ECCP internal information only (subtract FFTWAV)
POTLOK update of local potential (including one FFT)
SETDIJ calculate stregth of US PP
ORTHCH gramm-schmidt orth. applying Choleski decomp.
LINCOM unitary transformation of wavefunctions
LINUP upper triangle transformation of wavefunctions
ORTHON orthogonalisation of one band to all others
10xRED: cpu time 0.02: real time 0.02
STUFAK: cpu time 0.00: real time 0.00
POTLOK : cpu time 0.02: real time 0.02
FORLOC: cpu time 0.00: real time 0.00
CHSP : cpu time 2.48: real time 2.48
DEPLE : cpu time 0.00: real time 0.00
RSPHER: cpu time 0.02: real time 0.02
internal error in RACC0MU: PHASE not properly set up 1 112
internal error in RACC0MU: PHASE not properly set up 1 112
...Germain
