[Wien] 'LOPW' - Plane waves exhausted

[Volodymyr Svitlyk]

Thank you, Laurence,

actually it started to cycle after I have made the number of spaces in 
my file the same as in the native k-list

Le 22/02/2011 15:01, Laurence Marks a écrit :
> It is very hard to know exactly what you have done wrong, or it could
> be something special to your problem. Do you have d and f states in
> the valence region? You might need to increase RKMAX.
>
> 2011/2/21 Volodymyr Svitlyk<svitlyk at esrf.fr>:
>> Hi all,
>>
>> I have tried to use my custom klist. I have copied my klist into the
>> directory, set TEMP as a Fermi-method with eval = 0.002, then I just skipped
>> the kgen command during the initialize calc.  At the lapw1 I got the error
>> "'LOPW' - Plane waves exhausted."
>>
>> I guess something is wrong in the way I feed the klist?
>> Thank you.
>>
>>
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>>
>
>