[Wien] error in lapw1: 'INILPW' - Invalid k-point file on unit 0

[Lyudmila Dobysheva]

07.03.2020 14:30, pboulet пишет:
> I have the following 
> error message in the lapw1.error files:
> 'INILPW' - Invalid k-point file on unit   0
> I have set few k-points for these calculations: 25 (div:  10 10  1) and 
> 10 (div:   8  8  1), respectively. The cells are tetragonal, with very 
> large c compared with a and b (ratios of about 6 and 20).
> ...case.in1c (last line):
>    0.30    6  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global 
> APW/LAPW)
>   0    0.30     0.0000 CONT 1
>   0   -6.12     0.0001 STOP 1
>   1    0.30     0.0000 CONT 1
>   1   -3.79     0.0001 STOP 1
>   2    0.30     0.0005 CONT 1
>   2   -1.20     0.0005 STOP 2

I see from inilpw program that this diagnostic (Invalid k-point file on 
unit) appears when ITAPE.lt.1
ITAPE is read here:
!      READ (5,5090,err=71) ITAPE,e1n,e2n
       read(5,'(a)')line
       nemax_it=99999999
       read(line(21:),*,IOSTAT=ios) ITAPE,e1n,e2n,nemax_it

This line should be the last line in case.in1 (unit 5) which you did not 
show, it should look like (or similar)
K-VECTORS FROM UNIT:4  -13.0       0.3  618   emin / de

So, look at the file in5, send it whole, send also the machines file.

Best wishes
Lyudmila Dobysheva
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