[Pw_forum] xml data file not found

Punit Kumar ip.punit.2016 at gmail.com
Thu Nov 16 12:27:09 CET 2017


Hello QE users

I have recently started working on quantum espresso. I have installed QE
6.2 and after installation I have tried to do structure optimization of
bukl Ni crystal and I have got the following error

Program PWSCF v.6.2 (svn rev. 13949:13950) starts on 16Nov2017 at 16:20:50

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

     MPI processes distributed on     1 nodes
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     Atomic positions and unit cell read from directory:

/home/punit/Documents/7th_semester-june17-dec17/QE_examples/ni_fcc.save/

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readschemafile (1):
     xml data file not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Since I am new to this field, I am not able to figure out this problem. Any
help regarding this error is highly appreciated. I have also attached my
input file.

With Regards
Punit
IIT Bombay
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