<div>Dear developers:</div>
<div>I use GWW to calculate my 2D unit cell with 2C and 2F atoms,first I have performed <a href="http://scf_head.in">scf_head.in</a> with pw.x code ,it works well.Then I have a ph calculation at Gamma with head.x but it appears:</div>
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 0<br> from solve_e : error # 1<br> called in the wrong case<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
My input file is:</div>
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<div>&control<br> title='gf'<br> calculation='scf',<br> restart_mode='from_scratch',<br> prefix='gf'<br> pseudo_dir = '/home/sdwang/espresso-4.1.2/pseudo',<br> outdir='/home/sdwang/gw/tmp'<br>
/<br>&system <br> ibrav = 4, celldm(1)=4.839,celldm(3)=7.023,nat=4, ntyp=2,<br> ecutwfc = 60.0,nosym=.false., occupations='smearing',degauss=0.01,smearing='gaussian' <br>/<br>&electrons<br>
diagonalization='david',<br> conv_thr = 1.0d-10,<br> mixing_beta = 0.5,<br> startingwfc='random',<br>/<br>ATOMIC_SPECIES<br> C 12.0 C.pz-vbc.UPF<br> F 19.0 F.pz-rrkj.UPF <br>ATOMIC_POSITIONS (crystal)<br>
C 0.331724716 0.667136313 0.096514182<br>C 0.665075100 0.333783657 0.069110636<br>F 0.331574264 0.667153962 0.171629429<br>F 0.665085920 0.333706069 -0.005994247<br>K_POINTS (automatic)<br>
9 9 1 0 0 0<br> </div>
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<div>phonons of gf at Gamma<br> &inputph<br> tr2_ph=1.d-4,<br> prefix='gf',<br> outdir='/home/sdwang/gw/tmp/',<br> epsil=.false.,<br> amass(1)=12.0,<br> amass(2)=19.0<br> fildyn='gf.dynG',<br>
recover=.false.<br> trans=.false.<br> l_head=.true.<br> omega_gauss=20.<br> n_gauss=79<br> grid_type=2<br> niter_ph=1<br> /<br>0.0 0.0 0.0<br></div>
<div>What is my problem?</div>
<div>Thanks!!</div>