Was this warning added in VASP 5.2? Also, I have a suspicion that this may have something to do with the installation, specifically LAPACK/SCALAPACK.
Has anyone else had this experience?
INCAR:
Code: Select all
SYSTEM?=?magnetite?FIM?corrected?magnetization
ISTART?=?0
ICHARG?=?2
PREC?=?ACCURATE
ENCUT?=?500.00?#>default*1.3?for?minimization
ISMEAR?=?0?????!?Gauss?smearing
SIGMA?=?0.1
IBRION?=?2
ISIF?=?3
NSW?=?200
EDIFFG?=?0.02
POTIM?=?0.2???????!setp-size?for?quasi-newton?search
LREAL?=?AUTO?
ALGO?=?FAST
NELM?=?200
NELMIN?=?4????????!?increase?it?when?doing?relaxation
EDIFF?=?1.0E-5
ISPIN?=?2???????!?for?magnetic?calculation
LMAXMIX?=?6
MAGMOM?=?8*5.0?16*-4.0??32*0.0
AMIX?=?0.2
BMIX?=?0.0001
AMIX_MAG?=?0.8
BMIX_MAG?=?0.0001
LDAU?=?.TRUE.
LDAUTYPE?=?2
LDAUL?=?2?-1
LDAUU?=?5.0??0.0
LDAUJ?=?1.0??0.0
LASHPH?=?.TRUE.
LWAVE?=?.FALSE.?!prevents?the?writing?of?wavecar
LCHARG?=?.TRUE.?!write?chgcar
LORBIT?=?11
LPLANE?=?.TRUE.
ADDGRID?=?.TRUE.
