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Hi to everyone,<br>
<br>
I am sorry to bother for such a simple question, but I need to be
sure about what QE is giving me in the OUTPUT file.<br>
<br>
After a VC-relaxation on a cell with angles with one or more of
alpha beta gamma angles different from 90°, the VC-relaxation OUTPUT
file gives out this:<br>
<br>
CELL_PARAMETERS (alat= 9.37304158)<br>
<b><u>0.998026269</u></b> 0.000004734 -0.013893833<br>
0.000009261 <u><big><b><small>1.956757114</small></b></big></u>
-0.000006827<br>
-0.117999199 -0.000006751 <b><u>1.878825464</u></b><br>
<br>
The Bold and underlined values are the new Alat, Blat and Clat
factor to multiplicate the old alat given, to have the new cell
dimension in bohrs.<br>
<br>
But I guess the other numbers are giving me the alpha beta and gamma
angles (celldm 4-5-6)....<br>
<br>
But who is who?<br>
<br>
Thank you very much for reading!<br>
<br>
Francesco Pelizza<br>
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