Dear Lyudmila Dobysheva
below are my outputs as required by you.
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:
On Monday, 6 November 2017 12:22 AM, chin Sabsu <chinsa...@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!
RegardsChin
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