[Wien] Error In lapw2 while doing AFM calculation

Lyudmila Dobysheva lyuka17 at mail.ru
Sun Aug 29 18:25:39 CEST 2021


29.08.2021 19:51, 413119008 at nitt.edu wrote:
 > I am workimg on a system and while running afm calculation i got an 
error in lapw2 .
 > STOP L2main - QTL-B Error.
 > This is the error shown in STDOUT file
 >
 > 'LAPW2' - can't open unit: 18
 >   'LAPW2' -        filename: NaYbO1.vsp
 >   'LAPW2' -          status: old          form: formatted

For me looks strange that lapw2 in afm calculation says about NaYbO1.vsp 
file, it is to work with vspup and vspdn files. It looks like the 
command "x lapw2" was put instead of "x lapw2 -up" (?)
QTL-B is another error and I cannot see if the errors are linked.

 > This error meaasge is shown in lapw.error
 > 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
 > This error message in uplapw2.error.

Best wishes
Lyudmila Dobysheva
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