[SIESTA-L] Something strange “TRANSIESTA: No TS-DensityMatrix file found TRANSIESTA”

Tue, 21 Apr 2015 23:11:52 -0700 

Dear everyone,
I’m sorry to disturb but something strange appears in the beginning of the
OUTPUT file just as follows:


siesta:                 ==============================
                            Begin CG move =      0
                        ==============================

outcell: Unit cell vectors (Ang):
       41.000000    0.000000    0.000000
        0.000000   32.000000    0.000000
        0.000000    0.000000   53.992152

outcell: Cell vector modules (Ang)   :   41.000000   32.000000   53.992152
outcell: Cell angles (23,13,12) (deg):     90.0000     90.0000     90.0000
outcell: Cell volume (Ang**3)        :  70837.7037
New_DM. Step:     1
Initializing Density Matrix...
TRANSIESTA: No TS-DensityMatrix file found
TRANSIESTA: Initialization runs using diagon

And in the end, the job is failed after a while.

Responder a