[Wien] :WARN : WARNING: RKmax reduced due to NMATMAX

[Lyudmila Dobysheva]

>  6 Nov 2017, 14:37 +04:00 оfrom chin Sabsu <chinsabsu at yahoo.in>:
> Original RKMAX was 7.0 with  NMATMAX (NUM) up to 25000 (8000)  and the output is:
> :RKM  : MATRIX SIZE 24995LOs:  10  RKM= 5.68  WEIGHT= 1.00  PGR:    
>  Original RKMAX was 7.0 with  NMATMAX (NUM) was 19000 (6000) and the output is:
> :RKM  : MATRIX SIZE 18985LOs:  10  RKM= 5.18  WEIGHT= 1.00  PGR:    

So you can see that rkm is actually increasing with your nmatmax. Either reduce rkmax or further increase the parameter. 



> On Monday, 6 November 2017 12:22 AM, chin Sabsu <chinsabsu at yahoo.in> wrote:
> 
> 
> Dear Sir,
> 
> I am running the O2 molecule (F-cell) on an i5desktop with 8GM memory, Ubuntu 16.04, Wien2k_17.1.
> 
> I am getting the error:  :WARN :      WARNING: RKmax reduced due to NMATMAX
> 
> After scratching the mailing list I supposed to overcome this issue if I increase NMATMAX and NUM value but it also not helpful.
> 
> My default NMATMAX (NUM) was 19000 (6000) I increased NMATMAX (NUM) up to 25000 (8000) but still getting the same warning.
> 
> 
> Please help me.
> 
> Cell size is 15Ang x 18 Ang with one k-point.
> 
> Thanks in Advance!
> 
> Regards
> Chin
> 
> 
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Lyudmila