[Wien] blank struct file

I am using gfortran, and i do not have any problem for the same system when i replace Bi atom by Sc, but as i replace O by He, i am facing the problem. Most likely because you are using an editor and replacing O by He. This is a fixed format file and you have to replace O by He. I am

[Wien] blank struct file

I have no problems with your Mo3Sb7 struct file. I'm using ifort 11.0 and can get local rotation matrices. Everything runs as expected. Check/reinstall your ifort installation. Make sure you are using the correct libraries,... Am 13.05.2010 01:06, schrieb HK: Mohit, can't help you there,

[Wien] blank struct file

Mohit, can't help you there, but I have exactly the same problem with a struct file (Mo3Sb7), which I used 2 years ago with the pre-compiled linux executables. Now with ifort/mkl, x symmetry (compiled fine thanks to Peter's and Gerhard's hints) does the same to me, to be precise, the copy