Dear pwscf users,<br><br>I am trying to calculate phonons by GRID method for which GRID_example has been given. I followed the procedure suggested by user guide, SCF by pw.x and then ph.x for separated q points ... (the second approach of "Calculation of Phonon Dispersions on the Grid Using Quantum ESPRESSO" by Riccardo di Meo). My problem is that when I was doing calculations for each individual q points I got an error GAMA point in file output1:<br>
<br> from davcio : error # 20<br> error while reading from file<br><br>and I got a empty file.dyn1! However, for the rest of q points I did't have such problem. <br><br>I checked the problem, it occurs at the reading of wave function. But this problem still comes when I copy the wavefunction file file.wfc1 to the tmp directory. My input files like this:<br>
<br>phonons of AlAs<br> &inputph<br> tr2_ph=1.0d-12,<br> prefix='alas',<br> ldisp=.true.,<br> nq1=4, nq2=4, nq3=4<br> start_q=1<br> last_q=1<br> recover=.true.,<br> amass(1)=26.98,<br> amass(2)=74.92,<br>
outdir="/home/test/AlAs/1",<br> fildyn='alas.dyn',<br> /<br><br><br>What is the possible reason? Any suggestion would be appreciated. <br><br>Thanks.<br><br>shiningstar<br>