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<p>Dear all</p>
<p>When I try to calculate the charge response using turbo_lanczos.x. I obtain this error:<br>
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<p> Error in routine lr_read_wfc (1): This type of the supercell is not supported<br>
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<p>This is my input:</p>
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<p>&lr_input<br>
prefix = "pwscf",<br>
outdir = './',<br>
restart_step = 250,<br>
restart = .false.<br>
/<br>
&lr_control<br>
charge_response=1<br>
itermax = 500,<br>
ipol = 4<br>
lrpa = .true.<br>
ecutfock = 400<br>
charge_response = 1<br>
d0psi_rs = .true. <br>
lshift_d0psi = .true.<br>
/<br>
&lr_post<br>
beta_gamma_z_prefix="pwscf"<br>
omeg=0.178851536 !The response of the charge density is calculated for this transition energy (in Rydberg units)<br>
epsil=0.001<br>
w_T_npol=3<br>
plot_type=3<br>
/<br>
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<p>The system I am studying is a MOF with 120 atoms and 5 atom types: Y,C,N,O,H.</p>
<p>The wavefunction is hybrid HSE and the cell parameters (optimised using pbesol) are:
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<p>CELL_PARAMETERS (angstrom)<br>
13.942330435 -0.002163729 0.276449127<br>
-0.000947780 6.429695941 0.000316833<br>
-2.188037024 0.001050297 14.196933852<br>
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<p>Can you help me in finding what is wrong? and more important is this problem fixable?</p>
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<p>Cheers</p>
<p>Davide<br>
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