15.07.2013 17:26, jamal sayah wrote:
I made the LiCoO2 calculated and it gives error after scf
Error in LAPW1
'INILPW' - can not open unit: 18
'INILPW' - filename: LiCoO2.vsp
'INILPW' - status: old form: formatted
'LAPW1' - INILPW aborted unsuccessfully.
Maybe you have mixed spin-polarized initialization and non-spinpolarized
scf cycle. The programm lapw0 prepares, in this case, files vspup and
vspdn, while the program lapw1 needs vsp and cannot find it.
So, if you are in w2web change the calculation information on
spin-polarization.
Best wishes
Lyudmila Dobysheva
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