Re: [Wien] Error In lapw2 while doing AFM calculation

2021-08-29 Thread Lyudmila Dobysheva
29.08.2021 19:51, 413119...@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' -

Re: [Wien] Error In lapw2 while doing AFM calculation

2021-08-29 Thread Gavin Abo
The .vsp from a non-spin polarized calculation (run_lapw) doesn't seem right.  It probably should be reading .vspup (or .vspdn) based on uplapw2.error for a spin polarized calculation. As described at [1], mixing those can cause issues.  You might try moving all files from the NaYbO1

[Wien] Error In lapw2 while doing AFM calculation

2021-08-29 Thread 413119008
Respected Sir, I am using Wien2k19.2 in my workstation .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: