[Pw_forum] cppp.x axsf output range selection

[Rolly Ng]

Dear QE experts,

I am using cp.x to do molecular dynamics and I divided the computation 
into parts and my starting structure is obtained from previous pw.x 
relaxation.

1) electron minimization, file_cp1.in, file_cp1.out, data directory 
created is file_51.save

2) randomization, file_cp2.in, file_cp2.out, data directory created is 
file_52.save

3) increase temperature to 100K, file_cp3.in, file_cp3.out, data 
directory created is file_53.save

...

5) increase temperature to 300K, file_cp5.in, file_cp5.out, data 
directory created is file_55.save

Okay, these are all done, and I would like to use cppp.x to produce 
animation of the trajectory of step 5) at 300K only, and I use the 
following inputs,

&INPUTPP
          prefix = 'file' ,
          fileout = '/home/rolly/cpmd/file_cp5' ,
          output = 'xsf' ,
          outdir = '/home/rolly/cpmd/file/' ,
          ldynamics = .TRUE. ,
          nframes = 1000 ,
          atomic_number(1) = 79 ,
          atomic_number(2) = 6 ,
          ndr = 55 ,
/

But it seems to produce 1000 steps and these are trajectory starting 
with step 1). It seems ndr = 55 is being ignored? Can any one correct me 
if I am wrong?

How can I produce trajectory starting from step 5)? I am using QE v.5.3.0.

Best,
Rolly

-- 
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538