&CONTROL
calculation ='scf',
    verbosity = 'high',
restart_mode='from_scratch',
    wf_collect = .TRUE.,
    pseudo_dir='/home/achibisov/P_Si',
    outdir='/home/achibisov/P_Si/E_2P/1V/temp',
    lelfield=.true.,
    nberrycyc=1
/
&SYSTEM
  ibrav=14,
  celldm(1)=41.0501426587d0, celldm(2)=0.5000000000d0, celldm(3)=0.5000000000d0,
  celldm(4)=0.0000000000d0, celldm(5)=0.0000000000d0, celldm(6)=0.0000000000d0,
nat = 128,
ntyp = 2,
ecutwfc = 20,
ecutrho = 160,
  nbnd=600,
  occupations = 'fixed'
smearing ='gauss',
degauss = 0.0001,
nosym =.true.,
   starting_magnetization(2) = 0.4,
   noncolin = .true.,
/
&ELECTRONS
conv_thr = 1.D-6,
mixing_beta = 0.01,
mixing_ndim = 14
    startingwfc='random',
    efield_cart(1)=0.d0,
    efield_cart(2)=0.d0,
    efield_cart(3)=0.074d0
/
&IONS
ion_dynamics = 'bfgs',
/
ATOMIC_SPECIES
Si 28.0855 Si.UPF
P  30.974      P.UPF
ATOMIC_POSITIONS (crystal)
Si      -0.000001710   0.000000000   0.000000000
Si      -0.000095825   0.249954122   0.249954123
Si       0.125029105  -0.000169736   0.249956708
Si       0.125029105   0.249956709  -0.000169733
Si       0.187351787   0.124975047   0.374644626
Si       0.062602744   0.125166526   0.125166527
Si       0.062472744   0.374652740   0.374652741
Si       0.187351787   0.374644627   0.124975048
Si       0.250000010  -0.000000000  -0.000000002
Si       0.249547593   0.250420770   0.250420772
Si       0.374970753   0.000169826   0.249956746
Si       0.374970754   0.249956745   0.000169825
Si       0.437050677   0.125832501   0.374334831
Si       0.312771476   0.125854502   0.125854502
Si       0.312830711   0.374392913   0.374392914
Si       0.437050677   0.374334830   0.125832500
Si       0.500001728  -0.000000000  -0.000000000
Si       0.499907841   0.249954208   0.249954206
Si       0.625031806  -0.000169867   0.249956681
Si       0.625031807   0.249956680  -0.000169868
Si       0.687353258   0.124975561   0.374644283
Si       0.562606098   0.125166675   0.125166675
Si       0.562476140   0.374652467   0.374652466
Si       0.687353258   0.374644283   0.124975562
Si       0.750000046  -0.000000000  -0.000000000
Si       0.749547737   0.250420724   0.250420723
Si       0.874968347   0.000169864   0.249956702
Si       0.874968347   0.249956703   0.000169864
Si       0.937047498   0.125832649   0.374334754
Si       0.812770279   0.125854567   0.125854566
Si       0.812829327   0.374392862   0.374392862
Si       0.937047498   0.374334754   0.125832649
Si      -0.000001838   0.500000000  -0.000000001
Si       0.000092131   0.750045794   0.249954206
Si       0.125214724   0.499025448   0.250387540
Si       0.125029105   0.750043292   0.000169734
Si       0.187169167   0.625606194   0.374393806
Si       0.062949182   0.625665062   0.125832232
Si       0.062949183   0.874167766   0.374334939
Si       0.187228436   0.874145533   0.125854467
Si       0.249999950   0.500000001  -0.000000001
Si       0.250452310   0.749578845   0.250421154
Si       0.374785123   0.500974219   0.250387521
Si       0.374970754   0.750043254  -0.000169825
Si       0.437527034   0.625347382   0.374652619
Si       0.312648111   0.625355425   0.124975242
Si       0.312648111   0.875024757   0.374644574
Si       0.437397100   0.874833431   0.125166570
Si       0.500001785   0.500000000   0.000000000
Si       0.500095826   0.750045873   0.249954128
Si       0.625217514   0.499025751   0.250387784
Si       0.625031806   0.750043319   0.000169868
Si       0.687170766   0.625606873   0.374393128
Si       0.562952620   0.625665294   0.125832788
Si       0.562952620   0.874167212   0.374334706
Si       0.687229942   0.874145216   0.125854783
Si       0.750000121   0.499999999   0.000000001
Si       0.750452205   0.749578846   0.250421155
Si       0.874782597   0.500974197   0.250387833
Si       0.874968347   0.750043298  -0.000169864
Si       0.937523914   0.625347357   0.374652643
Si       0.812646935   0.625355607   0.124975588
Si       0.812646935   0.875024412   0.374644394
Si       0.937394003   0.874833431   0.125166569
Si      -0.000001838   0.000000001   0.499999999
Si       0.000092131   0.249954205   0.750045794
Si       0.125029104   0.000169733   0.750043291
Si       0.125214724   0.250387541   0.499025450
Si       0.187228435   0.125854466   0.874145534
Si       0.062949183   0.125832233   0.625665061
Si       0.062949183   0.374334938   0.874167766
Si       0.187169167   0.374393806   0.625606194
Si       0.249999951   0.000000000   0.499999999
Si       0.250452309   0.250421153   0.749578846
Si       0.374970753  -0.000169825   0.750043254
Si       0.374785122   0.250387521   0.500974219
Si       0.437397100   0.125166570   0.874833429
Si       0.312648111   0.124975243   0.625355425
Si       0.312648111   0.374644574   0.875024757
Si       0.437527035   0.374652619   0.625347381
Si       0.500001785   0.000000000   0.500000000
Si       0.500095827   0.249954129   0.750045871
Si       0.625031807   0.000169869   0.750043319
Si       0.625217514   0.250387783   0.499025749
Si       0.687229943   0.125854784   0.874145216
Si       0.562952621   0.125832788   0.625665294
Si       0.562952621   0.374334707   0.874167212
Si       0.687170766   0.374393128   0.625606873
Si       0.750000121  -0.000000001   0.500000001
Si       0.750452206   0.250421156   0.749578845
Si       0.874968347  -0.000169864   0.750043297
Si       0.874782597   0.250387832   0.500974198
Si       0.937394003   0.125166568   0.874833432
Si       0.812646935   0.124975588   0.625355607
Si       0.812646935   0.374644394   0.875024412
Si       0.937523914   0.374652643   0.625347357
Si      -0.000001764   0.500000001   0.500000000
Si      -0.000095825   0.750045877   0.750045878
Si       0.125214724   0.500974549   0.749612459
Si       0.125214724   0.749612460   0.500974552
Si       0.187351787   0.625355373   0.875024951
Si       0.062472745   0.625347259   0.625347260
Si       0.062602744   0.874833473   0.874833474
Si       0.187351788   0.875024952   0.625355375
P        0.250000151   0.500000000   0.499999999
Si       0.249547594   0.749579227   0.749579229
Si       0.374785123   0.499025781   0.749612480
Si       0.374785122   0.749612479   0.499025781
Si       0.437050677   0.625665170   0.874167499
Si       0.312830711   0.625607085   0.625607085
Si       0.312771477   0.874145496   0.874145498
Si       0.437050677   0.874167501   0.625665169
Si       0.500001707   0.500000000   0.500000000
Si       0.499907841   0.750045794   0.750045792
Si       0.625217515   0.500974252   0.749612217
Si       0.625217514   0.749612216   0.500974251
Si       0.687353258   0.625355718   0.875024440
Si       0.562476140   0.625347534   0.625347534
Si       0.562606098   0.874833325   0.874833324
Si       0.687353259   0.875024438   0.625355717
P        0.750000232   0.500000000   0.500000001
Si       0.749547737   0.749579278   0.749579277
Si       0.874782597   0.499025803   0.749612168
Si       0.874782597   0.749612167   0.499025803
Si       0.937047498   0.625665245   0.874167351
Si       0.812829327   0.625607139   0.625607139
Si       0.812770280   0.874145434   0.874145433
Si       0.937047498   0.874167350   0.625665245
K_POINTS automatic
1 1 1 0 0 0
