[Wien] "Local rotation matrix not orthogonal" in wplotc

[Takuma Ogasawara]

Dear wien2k users,

I got an error as written in subject when I run wplot.
The local rotation matrices is

LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                      0.7071068 0.7071068 0.0000000
                      0.0000000 0.0000000 1.0000000

in case.struct file (except the identity matrix) .
The product of this matrix and its transpose is

1.00000005321248 0                                0
                 0 1.00000005321248               0
                 0 0                                1

Thus I guess it is a problem of precision that
float is used in case.struct file and double is used in wplot.

Then I change from 0.7071068 to 0.7071067811865476(double representation).
The other error massage was displayed as follows

     At line 1084 of file util_w2w.F (unit = 20, file = 'wannier.struct')
     Fortran runtime error: Bad value during floating point read"

Do anyone know how to solve this problem?

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: takuma.ogasawara... at dc.tohoku.ac.jp
TEL: +81 090-1542-3269
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