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<p>Dear wien2k users,</p>
<p>I got an error as written in subject when I run wplot.<br>
The local rotation matrices is<br>
</p>
<p> LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000<br>
0.7071068 0.7071068 0.0000000<br>
0.0000000 0.0000000 1.0000000</p>
<p>in case.struct file (except the identity matrix) .<br>
The product of this matrix and its transpose is</p>
<p>1.00000005321248
0 0<br>
0
1.00000005321248 0 <br>
0
0 1</p>
<p>Thus I guess it is a problem of precision that<br>
float is used in case.struct file and double is used in wplot.</p>
<p>Then I change from 0.7071068 to 0.7071067811865476(double
representation).<br>
The other error massage was displayed as follows<br>
</p>
<p> At line 1084 of file util_w2w.F (unit = 20, file =
'wannier.struct')<br>
Fortran runtime error: Bad value during floating point read"</p>
<p>Do anyone know how to solve this problem?</p>
<pre style="margin: 0em;">Thanks in advance.
with regards,
Takuma Ogasawara
------------------
Dept. Phys., Faculty of Sci., Tohoku Univ.
Nano Solid State Physics Lab.
Zipcode:980-8577 2-1-1, Katahira, Aoba-ku, Sendai-shi, Miyagi-prefecture
Tohoku University, WPI-AIMR main building, Floor 3, Room 3B
Zipcode980-8578 6-3, Aza-Aoba, Aramaki, Aoba-ku, Sendai-shi,
Miyagi-prefecture
Tohoku University, Department of Physics, Building A, Room 319
mail: <a class="moz-txt-link-abbreviated" href="mailto:takuma.ogasawara...@dc.tohoku.ac.jp">takuma.ogasawara...@dc.tohoku.ac.jp</a>
TEL: +81 090-1542-3269
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