[Wien] error in uplapw1.error file

saurabh samant saurabhsamant9 at gmail.com
Sun May 10 20:48:44 CEST 2015


Thank you Gavin abo sir, the problem is resolved by your suggestion.

Saurabh Samant

On Sun, May 10, 2015 at 10:16 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Your scf calculation is probably non-complex, so you have to remove the
> '-c'.
>
>
> On 5/10/2015 10:24 AM, saurabh samant wrote:
>
>> Dear WIEN2k users,
>>
>> I am doing a spin-polarized mBJ calculation with SO as given in UG. After
>> the calculation converged successfully, I was trying to plot the
>> bandstructure after creatiing klist_band by giving the following command:
>> x lapw1 -band -up -c which gave the following error in uplapw1.error file:
>>
>> Error in LAPW1
>>  'INILPW' - can't open unit: 5
>>  'INILPW' -        filename: fecr2s4mbj.in1c
>>  'INILPW' -          status: old          form: formatted
>>  'LAPW1' - INILPW aborted unsuccessfully.
>>
>> Sir, Plz help to resolve this problem.
>>
>> Thanking You,
>> Yours sinjcerely
>> Saurabh Samanta
>> Ph.D. candidate
>>
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