[Wien] Error in spin orbit coupling calculation

[Paresh Chandra Rout]

First of all thank you for the helpful suggestion.  According to your
advice I ran the *x lapwso -p -up -c *and got the following error
ERROR IN OPENING UNIT:          54
        FILENAME:
* BFO.energydn*

    STATUS: old          FORM:formatted
OPEN FAILED
0.038u 0.031s 0:00.13 46.1% 0+0k 2336+0io 8pf+0w

Again when I ran *x lapwso -p -dn -c ,* the error wasERROR IN OPENING UNIT:
          9
        FILENAME:
 ./*BFO.vector*

    STATUS: old          FORM:unformatted
OPEN FAILED
0.036u 0.028s 0:00.07 71.4% 0+0k 0+0io 0pf+0w

The above two files BFO.energydn  and BFO.vector does not exist in working
Directory instead I have many files like
 BFO.energydn_1, BFO.energydn_2 and BFO.vectordn BFO.vectorup etc ..

I have attached the case.inso file. In the mean while I am going through
your third suggestion. I will let you know as soon as the job get finished.


Kind Regards
Paresh

On Sun, Jul 12, 2015 at 4:33 PM, Lyudmila Dobysheva <lyuka17 at mail.ru> wrote:

> On 12.07.2015 12:31, Paresh Chandra Rout wrote:
>
>> And I have also attached some files of my system .
>>
>
> Still: > Gavin Abo > The given information is not enough to help.
>
> 1) File case.inso is under greatest suspicion, check and send it.
>
> 2) make in terminal
> x lapwso -p -up -c
> Check the output, it should be more clear.
>
> 3) Try to make a cycle in a sequential mode, not parallel (the diagnostic
> is usually more informative). For this you can temporarily decrease number
> of k-points.
>
> Some comment to your struct file, formally it looks o'k, but in xcrysden
> the structure seems not nice. Though, there are many wonders in nature...
>
> Best regards
>  Lyudmila Dobysheva
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