[Pw_forum] Running Environ with pw.x

[Rolly Ng]

Dear Environ users,

I have compile Environ 0.2 with QE v.5.3.0 and I am trying to run 
example01 using my own input format, so I extract the essential parts 
from the run_example.sh as h2o.in and environ.in. These 2 input files 
are placed in the same directory.

Then I called mpirun -np 24 ./pw.x --environ -inp h2o.in |tee h2o.out,

I can see the output file is being generated but I cannot see any 
subsection stating Environ in the output file as attached.

Did it run with Environ plugin enabled? Is QE v.5.3.0 supported?

Thanks for your advise.

Regards,
Rolly Ng

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

-------------- next part --------------
 &ENVIRON
   !
   verbose = 0
   environ_thr = 1.d-1
   environ_type = vacuum
   tolrhopol = 1.d-11
   mixrhopol = 0.6
   !
 /
-------------- next part --------------
&CONTROL
   !
   calculation = 'relax'
   restart_mode = 'from_scratch'
   pseudo_dir = '$PSEUDO_DIR/'
   outdir = '$TMP_DIR/'
   prefix = '$prefix'
   tprnfor = .TRUE.
   verbosity = 'high'
   !
 /
 &SYSTEM
   !
   ecutrho = 300
   ecutwfc = 30
   ibrav = 1
   celldm(1) = 20
   nat = 3
   ntyp = 2
   assume_isolated = 'makov-payne'
   !
/
 &ELECTRONS
   !
   conv_thr = 5.D-9
   diagonalization = 'cg'
   mixing_beta = 0.4
   electron_maxstep = 200
   !
 /
 &IONS
   ion_dynamics    = 'bfgs'
 /
K_POINTS (automatic)
 1 1 1 0 0 0
ATOMIC_SPECIES  
 H   1  H.pbe-rrkjus.UPF
 O  16  O.pbe-rrkjus.UPF
ATOMIC_POSITIONS (bohr)
O   11.79  12.05  11.50
H   13.45  11.22  11.50
H   10.56  10.66  11.50