<div>hi all </div>
<div>i face a problem when calculate the phonon at G of excited state?</div>
<div> iter # 78 total cpu time : 20566.8 secs <a href="http://av.it">av.it</a>.: 141.6<br> thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.430+113</div>
<div> iter # 79 total cpu time : 21036.5 secs <a href="http://av.it">av.it</a>.: 144.1<br> thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.236+115</div>
<div> iter # 80 total cpu time : 21484.8 secs <a href="http://av.it">av.it</a>.: 146.4<br> thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.198+119</div>
<div> iter # 81 total cpu time : 21946.2 secs <a href="http://av.it">av.it</a>.: 151.2<br> thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.311+122<br> kpoint 1 ibnd 17 solve_e: root not converged 0.113E-01<br>
kpoint 1 ibnd 17 solve_e: root not converged 0.142E-01</div>
<div> iter # 82 total cpu time : 22423.0 secs <a href="http://av.it">av.it</a>.: 155.6<br> thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.207+127<br> kpoint 1 ibnd 17 solve_e: root not converged 0.140E-01<br>
kpoint 1 ibnd 17 solve_e: root not converged 0.520E-01<br> kpoint 1 ibnd 17 solve_e: root not converged 0.558E-01<br> kpoint 2 ibnd 17 solve_e: root not converged 0.127E-01<br> kpoint 2 ibnd 17 solve_e: root not converged 0.544E-02<br>
kpoint 2 ibnd 17 solve_e: root not converged 0.522E-02</div>
<div>so i want to ask can pwscf compute the phonon of properties of excited state?<br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China<br></div>