[Pw_forum] xcrysden+cygwin can't display relax process

[Dr. Shu-jun Hu]

Dear All,

When I use the xcyrsden installed on cygwin to display the relaxing process, it
just shows the initio structure (only one slide) rather than the whole process.
Since some ions have been fixed in the input file, the new structure after each
dynamic step is like:

*****************
     atom 140 type  1   force =     0.00621763   -0.00424409   -0.00889158

     Total force =     0.061794     Total SCF correction =     0.002797

     Entering Dynamics:    iteration =    27

     <vel(dt)|acc(dt)> =   0.99727388

ATOMIC_POSITIONS (angstrom)
Zn       0.000000000   0.000000000   0.000000000    0   0   0
Zn       2.815600000   1.625600000   0.000000000    0   0   0
O        0.000000000   0.000000000   1.986200000    0   0   0
*******************

The string '0   0   0' means the position of corresponding ions has been fix. When
such strings have been removed from the output file, the whole relax process can
be displayed correctly. I suggest removing the 0 0 0 string from the output file
or fix the bug of xcrysden.

Best 

Shujun