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<div style="line-break:after-white-space">Hi Erxi,
<div>(Hope it is OK that I cc <a href="mailto:mcstas-users@mcstas.org">mcstas-users@mcstas.org</a> since your observation/issue may be relevant to other McStas users also. :-) )<br id="x_lineBreakAtBeginningOfMessage">
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<div>Which version of McStas are you running? As I remember a minor fix was made (relating only to the printed orientation output I think) somewhere between ~ McStas 3.4 and now.</div>
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<div>With the attached instrument (adapted from templateLaue.instr) and the latest McStas (i.e. 3.5.24 or 25) seem to get reasonable output with:</div>
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<div>Your wanted orientation:</div>
<div>mcrun templateLaue.instr ay=0 -d all_pars_default --autoplot</div>
<div>i.e.</div>
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<div>Direct space lattice orientation:</div>
<div> a = [-7.1422 0 7.1422]</div>
<div> b = [7.1422 0 7.1422]</div>
<div> c = [0 10.1006 0]</div>
<div>Reciprocal space lattice orientation:</div>
<div> a* = [-0.439863 0 0.439863]</div>
<div> b* = [0.439863 -0 0.439863]</div>
<div> c* = [0 0.622061 -0]</div>
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<div>The default orientation from the .lau file:</div>
<div>mcrun templateLaue.instr ax=0 ay=0 az=0 bx=0 by=0 bz=0 cx=0 cy=0 cz=0 -d all_pars_0 --autoplot</div>
<div>i.e.:</div>
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<div>Direct space lattice orientation:</div>
<div> a = [0 10.1006 6.18483e-16]</div>
<div> b = [0 0 10.1006]</div>
<div> c = [10.1006 6.18483e-16 6.18483e-16]</div>
<div>Reciprocal space lattice orientation:</div>
<div> a* = [-3.80902e-17 0.622061 0]</div>
<div> b* = [-3.80902e-17 -3.80902e-17 0.622061]</div>
<div> c* = [0.622061 0 0]</div>
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<div>I attach the instrumentfile used, plots and datasets.</div>
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<div>Best,</div>
<div>Peter</div>
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<div>On 3 Apr 2025, at 11.02, Erxi Feng <fengex@ihep.ac.cn> wrote:</div>
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<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif">Dear Peter</div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"> </div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif">I tried to use Single_crystal component in Mcstas to simulate the time-of-flight single-crystal diffraction with incident wavelength 0.5 to 6.5 AA. I used cif2hkl to generate the lau file
of Ho2Ti2O7. However, I cannot rotate the lattice by setting the ax, ay, az, bx, by, bz, cx, cy, cz. Parameter. No matter what numbers I input to Single-crystal component, Mcstas always using the orientation with a-axis in y, b in c, and c in x. Is there something
wrong or bugs? Could you please help me to solve the problem? See detail in the attachment.</div>
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<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif">Best</div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif">Erxi Feng</div>
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<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span style="">~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~</span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span lang="ZH-CN" style="font-family:宋体">冯尔玺</span><span style=""></span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span lang="ZH-CN" style="font-family:宋体">中科院高能物理研究所东莞研究部</span><span style=""></span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span lang="ZH-CN" style="font-family:宋体">散裂中子源科学中心</span><span style=""></span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span lang="ZH-CN" style="font-family:宋体">联系电话：</span><span style="">0769-8893 1537</span><span lang="ZH-CN" style="font-family:宋体">（分机：</span><span style="">1537</span><span lang="ZH-CN" style="font-family:宋体">）</span><span style=""></span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span lang="ZH-CN" style="font-family:宋体">邮箱：</span><span style=""><a href="mailto:fengex@ihep.ac.cn"><span style="color:blue">fengex@ihep.ac.cn</span></a><br>
</span><span lang="ZH-CN" style="font-family:宋体">地址：广东省东莞市大朗镇中子源路</span><span style="">1</span><span lang="ZH-CN" style="font-family:宋体">号</span><span lang="ZH-CN" style=""><span class="x_Apple-converted-space"> </span></span><span lang="ZH-CN" style="font-family:宋体">中国散裂中子源园区</span><span style="">A1-628 </span></div>
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<span lang="ZH-CN" style="font-family:宋体">邮编：</span><span style="">523803</span></p>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span style="">Erxi Feng <br>
China Spallation Neutron Source (CSNS)<br>
No.1 Zhongziyuan Road, Dalang,<br>
Dongguan, 523803<br>
Guangdong Province, China</span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span style="">E-mail:<span class="x_Apple-converted-space"> </span><a href="mailto:fengex@ihep.ac.cn"><span style="color:blue">fengex@ihep.ac.cn</span></a></span></div>
<div style="margin:0in; font-size:11pt; font-family:Calibri,sans-serif"><span style="">Tel: +(86) 0769-89156971<br>
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~</span></div>
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<div><br>
Peter Kjær Willendrup<br>
Forskningsingeniør, Specialkonsulent<br>
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DTU Physics<br>
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307</span><br style="font-family:Helvetica; font-size:12px; font-style:normal; font-variant-caps:normal; font-weight:400; letter-spacing:normal; orphans:auto; text-align:start; text-indent:0px; text-transform:none; white-space:normal; widows:auto; word-spacing:0px; text-decoration:none; color:rgb(0,0,0)">
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