Dear PWscf user,<br>In my outfile, there appear several lines like "Found additional translation: 0.0000 0.5000 -0.5000". Does it mean a supercell in my input? But I directly use the fractional coordinates of cif file from CSD. My system is orthorhombic S8 (Fddd), and atomic postions in the input is as follows. Could you give my any suggestions? Thanks.<br>
Tian<br><br>ATOMIC_POSITIONS {crystal}<br>S 0.8558 0.9527 -0.0485<br>S 0.7073 0.9798 0.0041<br>S 0.7842 1.0302 0.0762<br>S 0.786 0.9077 0.1295<br>S 0.8942 0.7973 -0.0485<br>S 0.964 0.8423 0.1295<br>
S 1.0427 0.7702 0.0041<br>S 0.9658 0.7198 0.0762<br>S 0.8558 0.4527 0.4515<br>S 0.7073 0.4798 0.5041<br>S 0.7842 0.5302 0.5762<br>S 0.786 0.4077 0.6295<br>S 0.8942 0.2973 0.4515<br>
S 0.964 0.3423 0.6295<br>S 1.0427 0.2702 0.5041<br>S 0.9658 0.2198 0.5762<br>S 0.3558 0.9527 0.4515<br>S 0.2073 0.9798 0.5041<br>S 0.2842 1.0302 0.5762<br>S 0.286 0.9077 0.6295<br>
S 0.3942 0.7973 0.4515<br>S 0.464 0.8423 0.6295<br>S 0.5427 0.7702 0.5041<br>S 0.4658 0.7198 0.5762<br>S 0.3558 0.4527 -0.0485<br>S 0.2073 0.4798 0.0041<br>S 0.2842 0.5302 0.0762<br>
S 0.286 0.4077 0.1295<br>S 0.3942 0.2973 -0.0485<br>S 0.464 0.3423 0.1295<br>S 0.5427 0.2702 0.0041<br>S 0.4658 0.2198 0.0762<br>S 0.1442 0.2027 0.2015<br>S 0.2927 0.2298 0.2541<br>
S 0.2158 0.2802 0.3262<br>S 0.214 0.1577 0.3795<br>S 0.1058 0.0473 0.2015<br>S 0.036 0.0923 0.3795<br>S -0.0427 0.0202 0.2541<br>S 0.0342 -0.0302 0.3262<br>S 0.1442 0.7027 0.7015<br>
S 0.2927 0.7298 0.7541<br>S 0.2158 0.7802 0.8262<br>S 0.214 0.6577 0.8795<br>S 0.1058 0.5473 0.7015<br>S 0.036 0.5923 0.8795<br>S -0.0427 0.5202 0.7541<br>S 0.0342 0.4698 0.8262<br>
S 0.6442 0.2027 0.7015<br>S 0.7927 0.2298 0.7541<br>S 0.7158 0.2802 0.8262<br>S 0.714 0.1577 0.8795<br>S 0.6058 0.0473 0.7015<br>S 0.536 0.0923 0.8795<br>S 0.4573 0.0202 0.7541<br>
S 0.5342 -0.0302 0.8262<br>S 0.6442 0.7027 0.2015<br>S 0.7927 0.7298 0.2541<br>S 0.7158 0.7802 0.3262<br>S 0.714 0.6577 0.3795<br>S 0.6058 0.5473 0.2015<br>S 0.536 0.5923 0.3795<br>
S 0.4573 0.5202 0.2541<br>S 0.5342 0.4698 0.3262<br>S 0.1442 0.0473 1.0485<br>S 0.2927 0.0202 0.9959<br>S 0.2158 -0.0302 0.9238<br>S 0.214 0.0923 0.8705<br>S 0.1058 0.2027 1.0485<br>
S 0.036 0.1577 0.8705<br>S -0.0427 0.2298 0.9959<br>S 0.0342 0.2802 0.9238<br>S 0.1442 0.5473 0.5485<br>S 0.2927 0.5202 0.4959<br>S 0.2158 0.4698 0.4238<br>S 0.214 0.5923 0.3705<br>
S 0.1058 0.7027 0.5485<br>S 0.036 0.6577 0.3705<br>S -0.0427 0.7298 0.4959<br>S 0.0342 0.7802 0.4238<br>S 0.6442 0.0473 0.5485<br>S 0.7927 0.0202 0.4959<br>S 0.7158 -0.0302 0.4238<br>
S 0.714 0.0923 0.3705<br>S 0.6058 0.2027 0.5485<br>S 0.536 0.1577 0.3705<br>S 0.4573 0.2298 0.4959<br>S 0.5342 0.2802 0.4238<br>S 0.6442 0.5473 1.0485<br>S 0.7927 0.5202 0.9959<br>
S 0.7158 0.4698 0.9238<br>S 0.714 0.5923 0.8705<br>S 0.6058 0.7027 1.0485<br>S 0.536 0.6577 0.8705<br>S 0.4573 0.7298 0.9959<br>S 0.5342 0.7802 0.9238<br>S 0.8558 0.7973 0.7985<br>
S 0.7073 0.7702 0.7459<br>S 0.7842 0.7198 0.6738<br>S 0.786 0.8423 0.6205<br>S 0.8942 0.9527 0.7985<br>S 0.964 0.9077 0.6205<br>S 1.0427 0.9798 0.7459<br>S 0.9658 1.0302 0.6738<br>
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