the phonopy INCAR is as:
SYSTEM = dimer_struct_1
2
3
4 Startparaneter for this run
5 PREC =Accurate
6 ISTART =0
7 ICHARG =2
8 ISYM =0
9
10 #ISPIN =2
11 #MAGMOM =45.0 81.0
12 #LORBIT =11
13 NPAR =4
14 NCORE =4
15
16 ENCUT =600
17
18 Electronic Relaxation 1
19 NELM =80; NELMIN=3 ;NELMDL=-5
20 EDIFF =1E-8
21 LREAL =Auto
22
23 Ionic relaxation
24 EDIFFG =-1E-6
25 NSW =0
26 IBRION =-1
27 ISIF =2
28
29 #POTIM =0.1
30
31 DOS related value
32 ISMEAR =0
33 SIGMA =0.05
34
35 #LDAU=.TRUE.
36 #LDAUTYPE=2
37 #LDAUL=2 -1
38 #LDAUU=4.9 0.0
39 #LDAUJ=1.0 0.0
40
41 #LMAXMIX=4
42
43 Write flags
44 LWAVE =.F.
45 LCHARG =.F.
46 ADDGRID=.T.
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