<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><pre style=" ; ; ; ; ">Dear all,
How can I use wfck2r.x? I've found a link <a href="https://www.mail-archive.com/users@lists.quantum-espresso.org/msg34168.html" style="font-family: Verdana;"></a></pre><pre style=" ; ; ; ; ">https://www.mail-archive.com/users@lists.quantum-espresso.org/msg34168.html</pre><pre style=" ; ; ; ; ">and I successfully get hBN.wfc_r1 file. somehow I just can't open it with matlab. Could you please tell me what should I do?</pre><pre style=" ; ; ; ; "><br></pre><pre style=" ; ; ; ; ">Here are my two input files</pre><pre style=" ; ; ; ; ">#######################</pre><pre style=" ; ; ; ; ">scf input file</pre><pre style=" ; ; ; ; ">#######################</pre><pre style="margin-top: 0px; margin-bottom: 0px;"><span style=" ; ; ">&control
calculation='scf',
prefix='hBN',
outdir="./out"
restart_mode='from_scratch'
pseudo_dir = './Pseudos'
wf_collect=.true.
nstep = 200
verbosity = 'high'
/
&system
ibrav = 4,
celldm(1) = 4.716
celldm(3) = 2.582
nat= 4,
ntyp= 2,
force_symmorphic=.true.
ecutwfc = 40,
/
&electrons
electron_maxstep = 100
conv_thr = 1.0e-8
/
ATOMIC_SPECIES
B 10 B.pz-vbc.UPF
N 14 N.pz-vbc.UPF
ATOMIC_POSITIONS {crystal}
B 0.6666667 0.3333333 0.0000000
N -0.6666667 -0.3333333 0.0000000
B -0.6666667 -0.3333333 0.5000000
N 0.6666667 0.3333333 0.5000000
K_POINTS {automatic}
6 6 2 1 1 1
</span></pre><div><pre style=" ; ; ; ; ">#######################</pre><pre style=" ; ; ; ; ">scf input file</pre><pre style=" ; ; ; ; ">#######################</pre></div><pre style=" ; ; ; ; "><br></pre><pre style=" ; ; ; ; "><pre style=" ; ; ; ; ">#######################</pre><pre style=" ; ; ; ; ">wfck2r.x input file</pre><pre style=" ; ; ; ; ">#######################</pre></pre><pre style="margin-top: 0px; margin-bottom: 0px;"><span style=" ; ; ">&inputpp
prefix='hBN',
outdir='./out',
first_k=1
last_k=2
first_band=1
last_band=1
/</span></pre><pre style=" ; ; ; ; "><pre style=" ; ; ; ; ">#######################</pre><pre style=" ; ; ; ; ">wfck2r.x input file</pre><pre style=" ; ; ; ; ">#######################</pre></pre><pre style=" ; ; ; ; "><br></pre><pre style=" ; ; ; ; ">doma</pre><pre style=" ; ; ; ; "><br></pre><pre style=" ; ; ; ; ">PR. China</pre>