<div dir="ltr">case.klist_ibz is showing 8 k points......<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 1 Oct 2021 at 09:13, shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com">shamik15041981@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Sir,<div><div> I have set the k points now as below,</div><div> nx =2 ny=2 nz=2</div><div> nx=1 ny=1 nz =1</div><div><br></div><div>It shows case.ibz= 1 1 1 (<b>is that mean that 1 k point has been set?</b>)</div><div><br></div><div>However with this configuration, it is already 8 hrs have been passed but still the first cycle is running </div><div><br></div><div>> hf -dn -mode1 -redklist -c (06:37:58) > hf -up -mode1 -redklist -c (23:36:09) 74387.7u 11868.6s 7:01:48.51 340.8% 0+0k 1958760+330448io 46pf+0w<br>> lcore -dn (23:36:07) 2.1u 0.0s 0:02.23 96.8% 0+0k 40+26064io 0pf+0w<br>> lcore -up (23:36:05) 1.4u 0.0s 0:01.77 84.7% 0+0k 82840+26064io 1pf+0w<br>> lapw2 -dn -c (23:34:50) 121.8u 72.7s 1:14.66 260.5% 0+0k 364152+125984io 0pf+0w<br>> lapw2 -up -c (23:33:07) 128.4u 77.9s 1:42.97 200.4% 0+0k 40+126008io 0pf+0w<br>> lapw2 -dn -hf -redklist -fermi -c (23:33:05) 0.9u 0.0s 0:01.12 87.5% 0+0k 0+20496io 0pf+0w<br>> lapw2 -up -hf -redklist -fermi -c (23:33:03) 0.8u 0.1s 0:01.40 70.0% 0+0k 264+20496io 0pf+0w<br>> lapw2 -dn -fermi -c (23:33:00) 0.9u 0.0s 0:01.55 68.3% 0+0k 32+22432io 0pf+0w<br>> lapw2 -up -fermi -c (23:32:56) 1.0u 0.0s 0:01.92 58.8% 0+0k 32+22448io 0pf+0w<br>> lapw1 -dn -c (23:09:25) 3272.9u 510.3s 23:10.36 272.1% 0+0k 24+1568984io 0pf+0w<br>> lapw1 -up -c (22:44:03) 3283.1u 563.0s 25:21.79 252.7% 0+0k 8+1568992io 0pf+0w<br>> lapw1 -dn -c (22:40:36) 428.6u 72.6s 3:26.81 242.3% 0+0k 8+287456io 0pf+0w<br>> lapw1 -up -c (22:37:12) 418.3u 77.6s 3:23.86 243.2% 0+0k 16+287456io 0pf+0w<br>> lapw0 (22:35:38) 193.9u 0.7s 1:33.82 207.5% 0+0k 16+211872io 0pf+0w<br>> lapw0 -grr (22:33:21) 243.8u 1.2s 2:17.67 178.0% 0+0k 904+731784io 0pf+0w<br><br> cycle 1 (Thu Sep 30 22:33:21 IST 2021) (400/99 to go)<br><br> start (Thu Sep 30 22:33:21 IST 2021) with lapw0 (400/99 to go)<br></div><div><br></div><div>My query is whether 1 k point has been set? and also with 1 k point it is still computationally expensive?</div><div style="outline:none;padding:10px 0px;width:22px;margin:2px 0px 0px"><div id="gmail-m_1659833050667817889gmail-:ov" role="button" aria-label="Show trimmed content" aria-expanded="false" style="background-color:rgb(232,234,237);border:none;clear:both;line-height:6px;outline:none;width:24px;border-radius:5.5px"><img src="https://ssl.gstatic.com/ui/v1/icons/mail/images/cleardot.gif" style="background: url("https://ci5.googleusercontent.com/proxy/wyO-mqxDViyCHJMD3biw9i-z2DJMRf6HOkSBkfXpvddcaLcfjOAfoTCnzlp5FPaN6eymiUrzVY7Gs8RXMHNmTjJWSZ3Tu-QhwzeHQzkG_Md-nOxACOj2MDRauiupSJWTuQYXnw=s0-d-e1-ft#https://www.gstatic.com/images/icons/material/system/1x/more_horiz_black_20dp.png") 50% 50% / 20px no-repeat; height: 11px; opacity: 0.7; width: 24px;"></div></div><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div></div></div>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>