<html><head></head><body><div style="color:#000; background-color:#fff; font-family:標楷體, dfkai-sb;font-size:16px"><div id="yui_3_16_0_ym19_1_1509960266709_11956"><span>With </span></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: 標楷體, dfkai-sb; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Monday, 6 November 2017 12:22 AM, chin Sabsu <chinsabsu@yahoo.in> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv3281163514"><div><div style="color:#000;background-color:#fff;font-family:標楷體, dfkai-sb;font-size:16px;"><div id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5282">Dear Sir,</div><div id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5423"><br></div><div id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5424">I am running the O2 molecule (F-cell) on an i5desktop with 8GM memory, Ubuntu 16.04, Wien2k_17.1.</div><div id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5463"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5465">I am getting the error: :WARN : WARNING: RKmax reduced due to NMATMAX<br id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5448"></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5467"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5468">After scratching the mailing list I supposed to overcome this issue if I increase NMATMAX and NUM value but it also not helpful.</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5478"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5486">My default NMATMAX (NUM) was 19000 (6000) I increased NMATMAX (NUM) up to 25000 (8000) but still getting the same warning.</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5501"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5502"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5544">Please help me.</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5545"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5546">Cell size is 15Ang x 18 Ang with one k-point.</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5554"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5548">Thanks in Advance!</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5551"><br></div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5552">Regards</div><div dir="ltr" id="yiv3281163514yui_3_16_0_ym19_1_1509907503870_5553">Chin<br></div></div></div></div><br><br></div> </div> </div> </div></div></body></html>