<div> Dear developers:</div>
<div>I use v4.2 do relax calculation,but it appears:</div>
<div> </div>
<div> Message from routine iosys:<br> pot_extrapolation='second_order' not available, using 'atomic'<br> Message from routine iosys:<br> wfc_extrapolation='second_order' not available, using 'atomic'</div>
<div> </div>
<div>my input file is :</div>
<div>&control<br> title='go'<br> calculation='relax',<br> restart_mode='from_scratch',<br> prefix='go'<br> pseudo_dir = '/home/sdwang/espresso-4.1.2/pseudo',<br>
outdir='/home/sdwang/GO/go/tmp'<br> tprnfor=.true.<br> tstress=.true.<br>/<br>&system <br> ibrav = 8, celldm(1)=4.650,celldm(2)=1.7317, celldm(3)=7.3170 ,nat=6, ntyp=2,<br> ecutwfc = 40.0,occupations='smearing',degauss=0.01,smearing='gaussian'<br>
/<br>&electrons<br> mixing_beta = 0.7<br> conv_thr = 1.0d-8<br>/<br>&ions<br> ion_dynamics='bfgs',<br> bfgs_ndim=1,<br> pot_extrapolation="second_order",<br> wfc_extrapolation="second_order",<br>
/<br>ATOMIC_SPECIES<br> C 12.0 C.pz-vbc.UPF<br> O 16.0 O.pz-mt.UPF <br>ATOMIC_POSITIONS (crystal)<br>C 0.24680 0.16962 0.07944<br>C 0.74680 0.33632 0.07944<br>C 0.24680 0.83642 0.07944<br>C 0.74680 0.66972 0.07944<br>
O 0.77674 0.49750 0.15405<br>O 0.23131 0.98180 0.00297<br>K_POINTS (automatic)<br>7 7 1 0 00</div>
<div>What is the problem?</div>
<div>Thanks!</div>
<div> </div>
<div>S D Wang</div>