Dear QE users, My final goal is to obtain phonon dispersion of Ti3C2, however at the very beginning I get the following error: Error in scalartorealdpToo few elements found
Here is my input: &control calculation='vc-relax', restart_mode='from_scratch', pseudo_dir = '.', tprnfor=.true., forc_conv_thr= 1.0d-7, etot_conv_thr= 1.0d-8,/&system ibrav = 0, nat= 5, ntyp= 2, ecutwfc = 70, ecutrho = 630, occupations= 'smearing', smearing= 'mp', degauss = 0.01,/&electrons diagonalization= 'cg', conv_thr = 1.0d-12,/&ions ion_dynamics = 'bfgs',/&cell cell_dynamics = 'bfgs',/ATOMIC_SPECIES C 12.01 C.pz-van_ak.UPF Ti 47.867 Ti.pz-sp-van_ak.UPFATOMIC_POSITIONS crystalC 0.6666666666666643 0.3333333333333357 0.5810337763008668C 0.3333333333333357 0.6666666666666643 0.4189662236991332Ti 0.0000000000000000 0.0000000000000000 0.5000000000000000Ti 0.3333333333333357 0.6666666666666643 0.6450254278856442Ti 0.6666666666666643 0.3333333333333357 0.3549745721143557CELL_PARAMETERS angstrom 2.6883951985018508 -1.5514427239055619 0.0000111303329820 -0.0006087877982130 3.1039398992248510 -0.0000197140399680 -0.0000075989189900 0.0001016192400290 16.0000000145770898K_POINTS AUTOMATIC 10 10 4 0 0 0 I assume there is something wrong with pseudopotentials but could not figure how to solve it. Could you please point out the problem. Thanks,Ali
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