>Dear all,<br>><br>>I have met a problem in calculation of phonon,my code as follows:<br>>&CONTROL<br>>   calculation =   'scf' ,<br>>  restart_mode = 'from_scratch' ,<br>>  outdir='/home/user/ecnuphyk/SUN/tmp/tmp-p1/' ,<br>>  pseudo_dir = '/home/user/ecnuphyk/SUN/pseudo/' ,<br>>   prefix='...' ,<br>>  tstress = .true. ,<br>> tprnfor = .true. ,<br>>               etot_conv_thr = 1.0E-5  ,<br>>               forc_conv_thr = 1.0D-4 ,<br>> /<br>> &SYSTEM<br>>   ibrav = 0 ,<br>>   celldm(1) = 1.889725988578923203102406997093   ,<br>>                         nat  =  16
 ,<br>>                        ntyp  =  2 ,<br>>                       nspin  =  1<br>>                     ecutwfc  =  37.0 ,<br>> /<br>> &ELECTRONS<br>>                    conv_thr  =  1.0d-7  ,<br>>                  mixing_beta = 0.7 ,<br>> /<br>>CELL_PARAMETERS (alat)<br>>...<br>>ATOMIC_SPECIES<br>>...<br>>ATOMIC_POSITIONS {crystal}<br>>...<br>>K_POINTS automatic<br>>  5 5 8
 1 1 0<br>><br>>phonons of ...<br>>&inputph<br>>  tr2_ph=1.0d-12,<br>> prefix='',<br>>  ldisp=.true.,<br>>  nq1=3, nq2=3, nq3=4<br>>  epsil=.true. ,<br>>  amass(1)=...,<br>>  amass(2)=...,<br>>  outdir= '/home/user/ecnuphyk/SUN/tmp/tmp-p4/' ,<br>>  fildyn='....dyn',<br>> /<br>***********************************<br>please pay attention to K_POINTS automatic and nq1=3, nq2=3, nq3=4<br>should I have to set nq in &inputph in proportion to the mesh of K_POINTS automatic?<br><br>Thanks<br>regards,<br><BR><BR><p>



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