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``:oss/
`.+s+. .+ys--yh+ `./ss+.
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`/+ssys+-` `sh+ ` oys` .:osyo`
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/yh. oys
``..---hho---------` .---------..` `.-----.` -hd+---.
`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
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`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
-yh- ```````````````` ````````` `` `` oys
-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
Comput. Phys. Commun. 209, 116 (2016)
Program EPW v.5.7 starts on 5Mar2026 at 21:20:42
This program is part of the open-source Quantum ESPRESSO suite
 for quantum simulation of materials; please cite
 "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
 "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
 "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
 URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
 http://www.quantum-espresso.org/quote
 Parallel version (MPI), running on 1 processors
 MPI processes distributed on 1 nodes
 3347 MiB available memory on the printing compute node when the environment starts
Reading input from epw0.in
 Title line not specified: using 'default'.
 No temperature supplied. Setting temps(:) to 300 K.
 Reading xml data from directory:
 ./tmp/diamond.save/
 IMPORTANT: XC functional enforced from input :
 Exchange-correlation= PBE
 ( 1 4 3 4 0 0 0)
 Any further DFT definition will be discarded
 Please, verify this is what you really want
G-vector sticks info
 --------------------
 sticks: dense smooth PW G-vecs: dense smooth PW
 Sum 379 379 139 4909 4909 1037
Using Slab Decomposition
Reading collected, re-writing distributed wavefunctions
 default
bravais-lattice index = 0
 lattice parameter (a_0) = 4.7664 a.u.
 unit-cell volume = 76.5678 (a.u.)^3
 number of atoms/cell = 2
 number of atomic types = 1
 kinetic-energy cut-off = 60.0000 Ry
 charge density cut-off = 240.0000 Ry
 Exchange-correlation= PBE
 ( 1 4 3 4 0 0 0)
 celldm(1)= 4.76636 celldm(2)= 0.00000 celldm(3)= 0.00000
 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
 crystal axes: (cart. coord. in units of a_0)
 a(1) = ( 0.0000 0.7071 0.7071 )
a(2) = ( 0.7071 0.0000 0.7071 )
a(3) = ( 0.7071 0.7071 0.0000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
 b(1) = ( -0.7071 0.7071 0.7071 )
b(2) = ( 0.7071 -0.7071 0.7071 )
b(3) = ( 0.7071 0.7071 -0.7071 )
Atoms inside the unit cell:
Cartesian axes
 site n. atom mass positions (a_0 units)
 1 C 12.0110 tau( 1) = ( 0.00000 0.00000 0.00000 )
 2 C 12.0110 tau( 2) = ( 0.35355 0.35355 0.35355 )
49 Sym.Ops. (with q -> -q+G )
 G cutoff = 138.1101 ( 4909 G-vectors) FFT grid: ( 24, 24, 24)
 number of k points= 216
 cart. coord. in units 2pi/a_0
 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0092593
 k( 2) = ( 0.1178511 0.1178511 -0.1178511), wk = 0.0092593
 k( 3) = ( 0.2357023 0.2357023 -0.2357023), wk = 0.0092593
 k( 4) = ( 0.3535534 0.3535534 -0.3535534), wk = 0.0092593
 k( 5) = ( 0.4714045 0.4714045 -0.4714045), wk = 0.0092593
 k( 6) = ( 0.5892557 0.5892557 -0.5892557), wk = 0.0092593
 k( 7) = ( 0.1178511 -0.1178511 0.1178511), wk = 0.0092593
 k( 8) = ( 0.2357023 0.0000000 0.0000000), wk = 0.0092593
 k( 9) = ( 0.3535534 0.1178511 -0.1178511), wk = 0.0092593
 k( 10) = ( 0.4714045 0.2357023 -0.2357023), wk = 0.0092593
 k( 11) = ( 0.5892557 0.3535534 -0.3535534), wk = 0.0092593
 k( 12) = ( 0.7071068 0.4714045 -0.4714045), wk = 0.0092593
 k( 13) = ( 0.2357023 -0.2357023 0.2357023), wk = 0.0092593
 k( 14) = ( 0.3535534 -0.1178511 0.1178511), wk = 0.0092593
 k( 15) = ( 0.4714045 0.0000000 0.0000000), wk = 0.0092593
 k( 16) = ( 0.5892557 0.1178511 -0.1178511), wk = 0.0092593
 k( 17) = ( 0.7071068 0.2357023 -0.2357023), wk = 0.0092593
 k( 18) = ( 0.8249579 0.3535534 -0.3535534), wk = 0.0092593
 k( 19) = ( 0.3535534 -0.3535534 0.3535534), wk = 0.0092593
 k( 20) = ( 0.4714045 -0.2357023 0.2357023), wk = 0.0092593
 k( 21) = ( 0.5892557 -0.1178511 0.1178511), wk = 0.0092593
 k( 22) = ( 0.7071068 0.0000000 0.0000000), wk = 0.0092593
 k( 23) = ( 0.8249579 0.1178511 -0.1178511), wk = 0.0092593
 k( 24) = ( 0.9428090 0.2357023 -0.2357023), wk = 0.0092593
 k( 25) = ( 0.4714045 -0.4714045 0.4714045), wk = 0.0092593
 k( 26) = ( 0.5892557 -0.3535534 0.3535534), wk = 0.0092593
 k( 27) = ( 0.7071068 -0.2357023 0.2357023), wk = 0.0092593
 k( 28) = ( 0.8249579 -0.1178511 0.1178511), wk = 0.0092593
 k( 29) = ( 0.9428090 0.0000000 0.0000000), wk = 0.0092593
 k( 30) = ( 1.0606602 0.1178511 -0.1178511), wk = 0.0092593
 k( 31) = ( 0.5892557 -0.5892557 0.5892557), wk = 0.0092593
 k( 32) = ( 0.7071068 -0.4714045 0.4714045), wk = 0.0092593
 k( 33) = ( 0.8249579 -0.3535534 0.3535534), wk = 0.0092593
 k( 34) = ( 0.9428090 -0.2357023 0.2357023), wk = 0.0092593
 k( 35) = ( 1.0606602 -0.1178511 0.1178511), wk = 0.0092593
 k( 36) = ( 1.1785113 0.0000000 0.0000000), wk = 0.0092593
 k( 37) = ( -0.1178511 0.1178511 0.1178511), wk = 0.0092593
 k( 38) = ( 0.0000000 0.2357023 0.0000000), wk = 0.0092593
 k( 39) = ( 0.1178511 0.3535534 -0.1178511), wk = 0.0092593
 k( 40) = ( 0.2357023 0.4714045 -0.2357023), wk = 0.0092593
 k( 41) = ( 0.3535534 0.5892557 -0.3535534), wk = 0.0092593
 k( 42) = ( 0.4714045 0.7071068 -0.4714045), wk = 0.0092593
 k( 43) = ( 0.0000000 0.0000000 0.2357023), wk = 0.0092593
 k( 44) = ( 0.1178511 0.1178511 0.1178511), wk = 0.0092593
 k( 45) = ( 0.2357023 0.2357023 0.0000000), wk = 0.0092593
 k( 46) = ( 0.3535534 0.3535534 -0.1178511), wk = 0.0092593
 k( 47) = ( 0.4714045 0.4714045 -0.2357023), wk = 0.0092593
 k( 48) = ( 0.5892557 0.5892557 -0.3535534), wk = 0.0092593
 k( 49) = ( 0.1178511 -0.1178511 0.3535534), wk = 0.0092593
 k( 50) = ( 0.2357023 0.0000000 0.2357023), wk = 0.0092593
 k( 51) = ( 0.3535534 0.1178511 0.1178511), wk = 0.0092593
 k( 52) = ( 0.4714045 0.2357023 0.0000000), wk = 0.0092593
 k( 53) = ( 0.5892557 0.3535534 -0.1178511), wk = 0.0092593
 k( 54) = ( 0.7071068 0.4714045 -0.2357023), wk = 0.0092593
 k( 55) = ( 0.2357023 -0.2357023 0.4714045), wk = 0.0092593
 k( 56) = ( 0.3535534 -0.1178511 0.3535534), wk = 0.0092593
 k( 57) = ( 0.4714045 0.0000000 0.2357023), wk = 0.0092593
 k( 58) = ( 0.5892557 0.1178511 0.1178511), wk = 0.0092593
 k( 59) = ( 0.7071068 0.2357023 0.0000000), wk = 0.0092593
 k( 60) = ( 0.8249579 0.3535534 -0.1178511), wk = 0.0092593
 k( 61) = ( 0.3535534 -0.3535534 0.5892557), wk = 0.0092593
 k( 62) = ( 0.4714045 -0.2357023 0.4714045), wk = 0.0092593
 k( 63) = ( 0.5892557 -0.1178511 0.3535534), wk = 0.0092593
 k( 64) = ( 0.7071068 -0.0000000 0.2357023), wk = 0.0092593
 k( 65) = ( 0.8249579 0.1178511 0.1178511), wk = 0.0092593
 k( 66) = ( 0.9428090 0.2357023 0.0000000), wk = 0.0092593
 k( 67) = ( 0.4714045 -0.4714045 0.7071068), wk = 0.0092593
 k( 68) = ( 0.5892557 -0.3535534 0.5892557), wk = 0.0092593
 k( 69) = ( 0.7071068 -0.2357023 0.4714045), wk = 0.0092593
 k( 70) = ( 0.8249579 -0.1178511 0.3535534), wk = 0.0092593
 k( 71) = ( 0.9428090 0.0000000 0.2357023), wk = 0.0092593
 k( 72) = ( 1.0606602 0.1178511 0.1178511), wk = 0.0092593
 k( 73) = ( -0.2357023 0.2357023 0.2357023), wk = 0.0092593
 k( 74) = ( -0.1178511 0.3535534 0.1178511), wk = 0.0092593
 k( 75) = ( 0.0000000 0.4714045 0.0000000), wk = 0.0092593
 k( 76) = ( 0.1178511 0.5892557 -0.1178511), wk = 0.0092593
 k( 77) = ( 0.2357023 0.7071068 -0.2357023), wk = 0.0092593
 k( 78) = ( 0.3535534 0.8249579 -0.3535534), wk = 0.0092593
 k( 79) = ( -0.1178511 0.1178511 0.3535534), wk = 0.0092593
 k( 80) = ( 0.0000000 0.2357023 0.2357023), wk = 0.0092593
 k( 81) = ( 0.1178511 0.3535534 0.1178511), wk = 0.0092593
 k( 82) = ( 0.2357023 0.4714045 0.0000000), wk = 0.0092593
 k( 83) = ( 0.3535534 0.5892557 -0.1178511), wk = 0.0092593
 k( 84) = ( 0.4714045 0.7071068 -0.2357023), wk = 0.0092593
 k( 85) = ( 0.0000000 0.0000000 0.4714045), wk = 0.0092593
 k( 86) = ( 0.1178511 0.1178511 0.3535534), wk = 0.0092593
 k( 87) = ( 0.2357023 0.2357023 0.2357023), wk = 0.0092593
 k( 88) = ( 0.3535534 0.3535534 0.1178511), wk = 0.0092593
 k( 89) = ( 0.4714045 0.4714045 -0.0000000), wk = 0.0092593
 k( 90) = ( 0.5892557 0.5892557 -0.1178511), wk = 0.0092593
 k( 91) = ( 0.1178511 -0.1178511 0.5892557), wk = 0.0092593
 k( 92) = ( 0.2357023 0.0000000 0.4714045), wk = 0.0092593
 k( 93) = ( 0.3535534 0.1178511 0.3535534), wk = 0.0092593
 k( 94) = ( 0.4714045 0.2357023 0.2357023), wk = 0.0092593
 k( 95) = ( 0.5892557 0.3535534 0.1178511), wk = 0.0092593
 k( 96) = ( 0.7071068 0.4714045 0.0000000), wk = 0.0092593
 k( 97) = ( 0.2357023 -0.2357023 0.7071068), wk = 0.0092593
 k( 98) = ( 0.3535534 -0.1178511 0.5892557), wk = 0.0092593
 k( 99) = ( 0.4714045 -0.0000000 0.4714045), wk = 0.0092593
 k( 100) = ( 0.5892557 0.1178511 0.3535534), wk = 0.0092593
 k( 101) = ( 0.7071068 0.2357023 0.2357023), wk = 0.0092593
 k( 102) = ( 0.8249579 0.3535534 0.1178511), wk = 0.0092593
 k( 103) = ( 0.3535534 -0.3535534 0.8249579), wk = 0.0092593
 k( 104) = ( 0.4714045 -0.2357023 0.7071068), wk = 0.0092593
 k( 105) = ( 0.5892557 -0.1178511 0.5892557), wk = 0.0092593
 k( 106) = ( 0.7071068 0.0000000 0.4714045), wk = 0.0092593
 k( 107) = ( 0.8249579 0.1178511 0.3535534), wk = 0.0092593
 k( 108) = ( 0.9428090 0.2357023 0.2357023), wk = 0.0092593
 k( 109) = ( -0.3535534 0.3535534 0.3535534), wk = 0.0092593
 k( 110) = ( -0.2357023 0.4714045 0.2357023), wk = 0.0092593
 k( 111) = ( -0.1178511 0.5892557 0.1178511), wk = 0.0092593
 k( 112) = ( 0.0000000 0.7071068 0.0000000), wk = 0.0092593
 k( 113) = ( 0.1178511 0.8249579 -0.1178511), wk = 0.0092593
 k( 114) = ( 0.2357023 0.9428090 -0.2357023), wk = 0.0092593
 k( 115) = ( -0.2357023 0.2357023 0.4714045), wk = 0.0092593
 k( 116) = ( -0.1178511 0.3535534 0.3535534), wk = 0.0092593
 k( 117) = ( 0.0000000 0.4714045 0.2357023), wk = 0.0092593
 k( 118) = ( 0.1178511 0.5892557 0.1178511), wk = 0.0092593
 k( 119) = ( 0.2357023 0.7071068 0.0000000), wk = 0.0092593
 k( 120) = ( 0.3535534 0.8249579 -0.1178511), wk = 0.0092593
 k( 121) = ( -0.1178511 0.1178511 0.5892557), wk = 0.0092593
 k( 122) = ( 0.0000000 0.2357023 0.4714045), wk = 0.0092593
 k( 123) = ( 0.1178511 0.3535534 0.3535534), wk = 0.0092593
 k( 124) = ( 0.2357023 0.4714045 0.2357023), wk = 0.0092593
 k( 125) = ( 0.3535534 0.5892557 0.1178511), wk = 0.0092593
 k( 126) = ( 0.4714045 0.7071068 0.0000000), wk = 0.0092593
 k( 127) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0092593
 k( 128) = ( 0.1178511 0.1178511 0.5892557), wk = 0.0092593
 k( 129) = ( 0.2357023 0.2357023 0.4714045), wk = 0.0092593
 k( 130) = ( 0.3535534 0.3535534 0.3535534), wk = 0.0092593
 k( 131) = ( 0.4714045 0.4714045 0.2357023), wk = 0.0092593
 k( 132) = ( 0.5892557 0.5892557 0.1178511), wk = 0.0092593
 k( 133) = ( 0.1178511 -0.1178511 0.8249579), wk = 0.0092593
 k( 134) = ( 0.2357023 -0.0000000 0.7071068), wk = 0.0092593
 k( 135) = ( 0.3535534 0.1178511 0.5892557), wk = 0.0092593
 k( 136) = ( 0.4714045 0.2357023 0.4714045), wk = 0.0092593
 k( 137) = ( 0.5892557 0.3535534 0.3535534), wk = 0.0092593
 k( 138) = ( 0.7071068 0.4714045 0.2357023), wk = 0.0092593
 k( 139) = ( 0.2357023 -0.2357023 0.9428090), wk = 0.0092593
 k( 140) = ( 0.3535534 -0.1178511 0.8249579), wk = 0.0092593
 k( 141) = ( 0.4714045 0.0000000 0.7071068), wk = 0.0092593
 k( 142) = ( 0.5892557 0.1178511 0.5892557), wk = 0.0092593
 k( 143) = ( 0.7071068 0.2357023 0.4714045), wk = 0.0092593
 k( 144) = ( 0.8249579 0.3535534 0.3535534), wk = 0.0092593
 k( 145) = ( -0.4714045 0.4714045 0.4714045), wk = 0.0092593
 k( 146) = ( -0.3535534 0.5892557 0.3535534), wk = 0.0092593
 k( 147) = ( -0.2357023 0.7071068 0.2357023), wk = 0.0092593
 k( 148) = ( -0.1178511 0.8249579 0.1178511), wk = 0.0092593
 k( 149) = ( 0.0000000 0.9428090 0.0000000), wk = 0.0092593
 k( 150) = ( 0.1178511 1.0606602 -0.1178511), wk = 0.0092593
 k( 151) = ( -0.3535534 0.3535534 0.5892557), wk = 0.0092593
 k( 152) = ( -0.2357023 0.4714045 0.4714045), wk = 0.0092593
 k( 153) = ( -0.1178511 0.5892557 0.3535534), wk = 0.0092593
 k( 154) = ( -0.0000000 0.7071068 0.2357023), wk = 0.0092593
 k( 155) = ( 0.1178511 0.8249579 0.1178511), wk = 0.0092593
 k( 156) = ( 0.2357023 0.9428090 0.0000000), wk = 0.0092593
 k( 157) = ( -0.2357023 0.2357023 0.7071068), wk = 0.0092593
 k( 158) = ( -0.1178511 0.3535534 0.5892557), wk = 0.0092593
 k( 159) = ( -0.0000000 0.4714045 0.4714045), wk = 0.0092593
 k( 160) = ( 0.1178511 0.5892557 0.3535534), wk = 0.0092593
 k( 161) = ( 0.2357023 0.7071068 0.2357023), wk = 0.0092593
 k( 162) = ( 0.3535534 0.8249579 0.1178511), wk = 0.0092593
 k( 163) = ( -0.1178511 0.1178511 0.8249579), wk = 0.0092593
 k( 164) = ( -0.0000000 0.2357023 0.7071068), wk = 0.0092593
 k( 165) = ( 0.1178511 0.3535534 0.5892557), wk = 0.0092593
 k( 166) = ( 0.2357023 0.4714045 0.4714045), wk = 0.0092593
 k( 167) = ( 0.3535534 0.5892557 0.3535534), wk = 0.0092593
 k( 168) = ( 0.4714045 0.7071068 0.2357023), wk = 0.0092593
 k( 169) = ( 0.0000000 0.0000000 0.9428090), wk = 0.0092593
 k( 170) = ( 0.1178511 0.1178511 0.8249579), wk = 0.0092593
 k( 171) = ( 0.2357023 0.2357023 0.7071068), wk = 0.0092593
 k( 172) = ( 0.3535534 0.3535534 0.5892557), wk = 0.0092593
 k( 173) = ( 0.4714045 0.4714045 0.4714045), wk = 0.0092593
 k( 174) = ( 0.5892557 0.5892557 0.3535534), wk = 0.0092593
 k( 175) = ( 0.1178511 -0.1178511 1.0606602), wk = 0.0092593
 k( 176) = ( 0.2357023 0.0000000 0.9428090), wk = 0.0092593
 k( 177) = ( 0.3535534 0.1178511 0.8249579), wk = 0.0092593
 k( 178) = ( 0.4714045 0.2357023 0.7071068), wk = 0.0092593
 k( 179) = ( 0.5892557 0.3535534 0.5892557), wk = 0.0092593
 k( 180) = ( 0.7071068 0.4714045 0.4714045), wk = 0.0092593
 k( 181) = ( -0.5892557 0.5892557 0.5892557), wk = 0.0092593
 k( 182) = ( -0.4714045 0.7071068 0.4714045), wk = 0.0092593
 k( 183) = ( -0.3535534 0.8249579 0.3535534), wk = 0.0092593
 k( 184) = ( -0.2357023 0.9428090 0.2357023), wk = 0.0092593
 k( 185) = ( -0.1178511 1.0606602 0.1178511), wk = 0.0092593
 k( 186) = ( 0.0000000 1.1785113 0.0000000), wk = 0.0092593
 k( 187) = ( -0.4714045 0.4714045 0.7071068), wk = 0.0092593
 k( 188) = ( -0.3535534 0.5892557 0.5892557), wk = 0.0092593
 k( 189) = ( -0.2357023 0.7071068 0.4714045), wk = 0.0092593
 k( 190) = ( -0.1178511 0.8249579 0.3535534), wk = 0.0092593
 k( 191) = ( 0.0000000 0.9428090 0.2357023), wk = 0.0092593
 k( 192) = ( 0.1178511 1.0606602 0.1178511), wk = 0.0092593
 k( 193) = ( -0.3535534 0.3535534 0.8249579), wk = 0.0092593
 k( 194) = ( -0.2357023 0.4714045 0.7071068), wk = 0.0092593
 k( 195) = ( -0.1178511 0.5892557 0.5892557), wk = 0.0092593
 k( 196) = ( 0.0000000 0.7071068 0.4714045), wk = 0.0092593
 k( 197) = ( 0.1178511 0.8249579 0.3535534), wk = 0.0092593
 k( 198) = ( 0.2357023 0.9428090 0.2357023), wk = 0.0092593
 k( 199) = ( -0.2357023 0.2357023 0.9428090), wk = 0.0092593
 k( 200) = ( -0.1178511 0.3535534 0.8249579), wk = 0.0092593
 k( 201) = ( 0.0000000 0.4714045 0.7071068), wk = 0.0092593
 k( 202) = ( 0.1178511 0.5892557 0.5892557), wk = 0.0092593
 k( 203) = ( 0.2357023 0.7071068 0.4714045), wk = 0.0092593
 k( 204) = ( 0.3535534 0.8249579 0.3535534), wk = 0.0092593
 k( 205) = ( -0.1178511 0.1178511 1.0606602), wk = 0.0092593
 k( 206) = ( 0.0000000 0.2357023 0.9428090), wk = 0.0092593
 k( 207) = ( 0.1178511 0.3535534 0.8249579), wk = 0.0092593
 k( 208) = ( 0.2357023 0.4714045 0.7071068), wk = 0.0092593
 k( 209) = ( 0.3535534 0.5892557 0.5892557), wk = 0.0092593
 k( 210) = ( 0.4714045 0.7071068 0.4714045), wk = 0.0092593
 k( 211) = ( 0.0000000 0.0000000 1.1785113), wk = 0.0092593
 k( 212) = ( 0.1178511 0.1178511 1.0606602), wk = 0.0092593
 k( 213) = ( 0.2357023 0.2357023 0.9428090), wk = 0.0092593
 k( 214) = ( 0.3535534 0.3535534 0.8249579), wk = 0.0092593
 k( 215) = ( 0.4714045 0.4714045 0.7071068), wk = 0.0092593
 k( 216) = ( 0.5892557 0.5892557 0.5892557), wk = 0.0092593
 PseudoPot. # 1 for C read from file:
 ../pseudos/C.upf
 MD5 check sum: 34a24e64c0a39f27c6c36b90a16ac686
 Pseudo is Norm-conserving + core correction, Zval = 4.0
 Generated using ONCVPSP code by D. R. Hamann
 Using radial grid of 1248 points, 4 beta functions with:
l(1) = 0
 l(2) = 0
 l(3) = 1
 l(4) = 1
 EPW : 0.07s CPU 0.09s WALL
 EPW : 0.10s CPU 0.12s WALL
 -------------------------------------------------------------------
 Wannierization on 6 x 6 x 6 electronic grid
 -------------------------------------------------------------------
Spin CASE ( default = unpolarized )
Initializing Wannier90
Initial Wannier projections
( 0.00000 0.00000 0.00000) : l = -3 mr = 1
 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2
 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3
 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4
 - Number of bands is ( 4)
 - Number of total bands is ( 4)
 - Number of excluded bands is ( 0)
 - Number of wannier functions is ( 4)
 - All guiding functions are given
Reading data about k-point neighbours
- All neighbours are found
AMN
 k points = 216 in 1 pools
 1 of 216 on ionode
 2 of 216 on ionode
 3 of 216 on ionode
 4 of 216 on ionode
 5 of 216 on ionode
 6 of 216 on ionode
 7 of 216 on ionode
 8 of 216 on ionode
 9 of 216 on ionode
 10 of 216 on ionode
 11 of 216 on ionode
 12 of 216 on ionode
 13 of 216 on ionode
 14 of 216 on ionode
 15 of 216 on ionode
 16 of 216 on ionode
 17 of 216 on ionode
 18 of 216 on ionode
 19 of 216 on ionode
 20 of 216 on ionode
 21 of 216 on ionode
 22 of 216 on ionode
 23 of 216 on ionode
 24 of 216 on ionode
 25 of 216 on ionode
 26 of 216 on ionode
 27 of 216 on ionode
 28 of 216 on ionode
 29 of 216 on ionode
 30 of 216 on ionode
 31 of 216 on ionode
 32 of 216 on ionode
 33 of 216 on ionode
 34 of 216 on ionode
 35 of 216 on ionode
 36 of 216 on ionode
 37 of 216 on ionode
 38 of 216 on ionode
 39 of 216 on ionode
 40 of 216 on ionode
 41 of 216 on ionode
 42 of 216 on ionode
 43 of 216 on ionode
 44 of 216 on ionode
 45 of 216 on ionode
 46 of 216 on ionode
 47 of 216 on ionode
 48 of 216 on ionode
 49 of 216 on ionode
 50 of 216 on ionode
 51 of 216 on ionode
 52 of 216 on ionode
 53 of 216 on ionode
 54 of 216 on ionode
 55 of 216 on ionode
 56 of 216 on ionode
 57 of 216 on ionode
 58 of 216 on ionode
 59 of 216 on ionode
 60 of 216 on ionode
 61 of 216 on ionode
 62 of 216 on ionode
 63 of 216 on ionode
 64 of 216 on ionode
 65 of 216 on ionode
 66 of 216 on ionode
 67 of 216 on ionode
 68 of 216 on ionode
 69 of 216 on ionode
 70 of 216 on ionode
 71 of 216 on ionode
 72 of 216 on ionode
 73 of 216 on ionode
 74 of 216 on ionode
 75 of 216 on ionode
 76 of 216 on ionode
 77 of 216 on ionode
 78 of 216 on ionode
 79 of 216 on ionode
 80 of 216 on ionode
 81 of 216 on ionode
 82 of 216 on ionode
 83 of 216 on ionode
 84 of 216 on ionode
 85 of 216 on ionode
 86 of 216 on ionode
 87 of 216 on ionode
 88 of 216 on ionode
 89 of 216 on ionode
 90 of 216 on ionode
 91 of 216 on ionode
 92 of 216 on ionode
 93 of 216 on ionode
 94 of 216 on ionode
 95 of 216 on ionode
 96 of 216 on ionode
 97 of 216 on ionode
 98 of 216 on ionode
 99 of 216 on ionode
 100 of 216 on ionode
 101 of 216 on ionode
 102 of 216 on ionode
 103 of 216 on ionode
 104 of 216 on ionode
 105 of 216 on ionode
 106 of 216 on ionode
 107 of 216 on ionode
 108 of 216 on ionode
 109 of 216 on ionode
 110 of 216 on ionode
 111 of 216 on ionode
 112 of 216 on ionode
 113 of 216 on ionode
 114 of 216 on ionode
 115 of 216 on ionode
 116 of 216 on ionode
 117 of 216 on ionode
 118 of 216 on ionode
 119 of 216 on ionode
 120 of 216 on ionode
 121 of 216 on ionode
 122 of 216 on ionode
 123 of 216 on ionode
 124 of 216 on ionode
 125 of 216 on ionode
 126 of 216 on ionode
 127 of 216 on ionode
 128 of 216 on ionode
 129 of 216 on ionode
 130 of 216 on ionode
 131 of 216 on ionode
 132 of 216 on ionode
 133 of 216 on ionode
 134 of 216 on ionode
 135 of 216 on ionode
 136 of 216 on ionode
 137 of 216 on ionode
 138 of 216 on ionode
 139 of 216 on ionode
 140 of 216 on ionode
 141 of 216 on ionode
 142 of 216 on ionode
 143 of 216 on ionode
 144 of 216 on ionode
 145 of 216 on ionode
 146 of 216 on ionode
 147 of 216 on ionode
 148 of 216 on ionode
 149 of 216 on ionode
 150 of 216 on ionode
 151 of 216 on ionode
 152 of 216 on ionode
 153 of 216 on ionode
 154 of 216 on ionode
 155 of 216 on ionode
 156 of 216 on ionode
 157 of 216 on ionode
 158 of 216 on ionode
 159 of 216 on ionode
 160 of 216 on ionode
 161 of 216 on ionode
 162 of 216 on ionode
 163 of 216 on ionode
 164 of 216 on ionode
 165 of 216 on ionode
 166 of 216 on ionode
 167 of 216 on ionode
 168 of 216 on ionode
 169 of 216 on ionode
 170 of 216 on ionode
 171 of 216 on ionode
 172 of 216 on ionode
 173 of 216 on ionode
 174 of 216 on ionode
 175 of 216 on ionode
 176 of 216 on ionode
 177 of 216 on ionode
 178 of 216 on ionode
 179 of 216 on ionode
 180 of 216 on ionode
 181 of 216 on ionode
 182 of 216 on ionode
 183 of 216 on ionode
 184 of 216 on ionode
 185 of 216 on ionode
 186 of 216 on ionode
 187 of 216 on ionode
 188 of 216 on ionode
 189 of 216 on ionode
 190 of 216 on ionode
 191 of 216 on ionode
 192 of 216 on ionode
 193 of 216 on ionode
 194 of 216 on ionode
 195 of 216 on ionode
 196 of 216 on ionode
 197 of 216 on ionode
 198 of 216 on ionode
 199 of 216 on ionode
 200 of 216 on ionode
 201 of 216 on ionode
 202 of 216 on ionode
 203 of 216 on ionode
 204 of 216 on ionode
 205 of 216 on ionode
 206 of 216 on ionode
 207 of 216 on ionode
 208 of 216 on ionode
 209 of 216 on ionode
 210 of 216 on ionode
 211 of 216 on ionode
 212 of 216 on ionode
 213 of 216 on ionode
 214 of 216 on ionode
 215 of 216 on ionode
 216 of 216 on ionode
AMN calculated
MMN
 k points = 216 in 1 pools
 1 of 216 on ionode
 2 of 216 on ionode
 3 of 216 on ionode
 4 of 216 on ionode
 5 of 216 on ionode
 6 of 216 on ionode
 7 of 216 on ionode
 8 of 216 on ionode
 9 of 216 on ionode
 10 of 216 on ionode
 11 of 216 on ionode
 12 of 216 on ionode
 13 of 216 on ionode
 14 of 216 on ionode
 15 of 216 on ionode
 16 of 216 on ionode
 17 of 216 on ionode
 18 of 216 on ionode
 19 of 216 on ionode
 20 of 216 on ionode
 21 of 216 on ionode
 22 of 216 on ionode
 23 of 216 on ionode
 24 of 216 on ionode
 25 of 216 on ionode
 26 of 216 on ionode
 27 of 216 on ionode
 28 of 216 on ionode
 29 of 216 on ionode
 30 of 216 on ionode
 31 of 216 on ionode
 32 of 216 on ionode
 33 of 216 on ionode
 34 of 216 on ionode
 35 of 216 on ionode
 36 of 216 on ionode
 37 of 216 on ionode
 38 of 216 on ionode
 39 of 216 on ionode
 40 of 216 on ionode
 41 of 216 on ionode
 42 of 216 on ionode
 43 of 216 on ionode
 44 of 216 on ionode
 45 of 216 on ionode
 46 of 216 on ionode
 47 of 216 on ionode
 48 of 216 on ionode
 49 of 216 on ionode
 50 of 216 on ionode
 51 of 216 on ionode
 52 of 216 on ionode
 53 of 216 on ionode
 54 of 216 on ionode
 55 of 216 on ionode
 56 of 216 on ionode
 57 of 216 on ionode
 58 of 216 on ionode
 59 of 216 on ionode
 60 of 216 on ionode
 61 of 216 on ionode
 62 of 216 on ionode
 63 of 216 on ionode
 64 of 216 on ionode
 65 of 216 on ionode
 66 of 216 on ionode
 67 of 216 on ionode
 68 of 216 on ionode
 69 of 216 on ionode
 70 of 216 on ionode
 71 of 216 on ionode
 72 of 216 on ionode
 73 of 216 on ionode
 74 of 216 on ionode
 75 of 216 on ionode
 76 of 216 on ionode
 77 of 216 on ionode
 78 of 216 on ionode
 79 of 216 on ionode
 80 of 216 on ionode
 81 of 216 on ionode
 82 of 216 on ionode
 83 of 216 on ionode
 84 of 216 on ionode
 85 of 216 on ionode
 86 of 216 on ionode
 87 of 216 on ionode
 88 of 216 on ionode
 89 of 216 on ionode
 90 of 216 on ionode
 91 of 216 on ionode
 92 of 216 on ionode
 93 of 216 on ionode
 94 of 216 on ionode
 95 of 216 on ionode
 96 of 216 on ionode
 97 of 216 on ionode
 98 of 216 on ionode
 99 of 216 on ionode
 100 of 216 on ionode
 101 of 216 on ionode
 102 of 216 on ionode
 103 of 216 on ionode
 104 of 216 on ionode
 105 of 216 on ionode
 106 of 216 on ionode
 107 of 216 on ionode
 108 of 216 on ionode
 109 of 216 on ionode
 110 of 216 on ionode
 111 of 216 on ionode
 112 of 216 on ionode
 113 of 216 on ionode
 114 of 216 on ionode
 115 of 216 on ionode
 116 of 216 on ionode
 117 of 216 on ionode
 118 of 216 on ionode
 119 of 216 on ionode
 120 of 216 on ionode
 121 of 216 on ionode
 122 of 216 on ionode
 123 of 216 on ionode
 124 of 216 on ionode
 125 of 216 on ionode
 126 of 216 on ionode
 127 of 216 on ionode
 128 of 216 on ionode
 129 of 216 on ionode
 130 of 216 on ionode
 131 of 216 on ionode
 132 of 216 on ionode
 133 of 216 on ionode
 134 of 216 on ionode
 135 of 216 on ionode
 136 of 216 on ionode
 137 of 216 on ionode
 138 of 216 on ionode
 139 of 216 on ionode
 140 of 216 on ionode
 141 of 216 on ionode
 142 of 216 on ionode
 143 of 216 on ionode
 144 of 216 on ionode
 145 of 216 on ionode
 146 of 216 on ionode
 147 of 216 on ionode
 148 of 216 on ionode
 149 of 216 on ionode
 150 of 216 on ionode
 151 of 216 on ionode
 152 of 216 on ionode
 153 of 216 on ionode
 154 of 216 on ionode
 155 of 216 on ionode
 156 of 216 on ionode
 157 of 216 on ionode
 158 of 216 on ionode
 159 of 216 on ionode
 160 of 216 on ionode
 161 of 216 on ionode
 162 of 216 on ionode
 163 of 216 on ionode
 164 of 216 on ionode
 165 of 216 on ionode
 166 of 216 on ionode
 167 of 216 on ionode
 168 of 216 on ionode
 169 of 216 on ionode
 170 of 216 on ionode
 171 of 216 on ionode
 172 of 216 on ionode
 173 of 216 on ionode
 174 of 216 on ionode
 175 of 216 on ionode
 176 of 216 on ionode
 177 of 216 on ionode
 178 of 216 on ionode
 179 of 216 on ionode
 180 of 216 on ionode
 181 of 216 on ionode
 182 of 216 on ionode
 183 of 216 on ionode
 184 of 216 on ionode
 185 of 216 on ionode
 186 of 216 on ionode
 187 of 216 on ionode
 188 of 216 on ionode
 189 of 216 on ionode
 190 of 216 on ionode
 191 of 216 on ionode
 192 of 216 on ionode
 193 of 216 on ionode
 194 of 216 on ionode
 195 of 216 on ionode
 196 of 216 on ionode
 197 of 216 on ionode
 198 of 216 on ionode
 199 of 216 on ionode
 200 of 216 on ionode
 201 of 216 on ionode
 202 of 216 on ionode
 203 of 216 on ionode
 204 of 216 on ionode
 205 of 216 on ionode
 206 of 216 on ionode
 207 of 216 on ionode
 208 of 216 on ionode
 209 of 216 on ionode
 210 of 216 on ionode
 211 of 216 on ionode
 212 of 216 on ionode
 213 of 216 on ionode
 214 of 216 on ionode
 215 of 216 on ionode
 216 of 216 on ionode
 MMN calculated
Running Wannier90
Wannier Function centers (cartesian, alat) and spreads (ang):
( 0.17678 0.17678 0.17678) : 0.72923
 ( 0.17678 -0.17678 -0.17678) : 0.72923
 ( -0.17678 0.17678 -0.17678) : 0.72923
 ( -0.17678 -0.17678 0.17678) : 0.72923
-------------------------------------------------------------------
 WANNIER : 5.31s CPU 5.57s WALL ( 1 calls)
 -------------------------------------------------------------------
 Calculating kgmap
 Progress kgmap: ########################################
 kmaps : 0.01s CPU 0.05s WALL ( 1 calls)
 Symmetries of Bravais lattice: 48
 Symmetries of crystal: 48
 ===================================================================
 irreducible q point # 1
 ===================================================================
 Symmetries of small group of q: 48
 in addition sym. q -> -q+G:
Number of q in the star = 1
 List of q in the star:
 1 0.000000000 0.000000000 0.000000000
 Imposing acoustic sum rule on the dynamical matrix
 Read dielectric tensor and effective charges
q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )
 Writing epmatq on .epb files
 The .epb files have been correctly written
 Construct the Wigner-Seitz cell using Wannier centers and atomic positions
Number of WS vectors for electrons 375
 Number of WS vectors for phonons 7
 Number of WS vectors for electron-phonon 4
 Maximum number of cores for efficient parallelization 8
 Velocity matrix elements calculated
Bloch2wane: 1 / 1
Bloch2wanp: 1 / 4
 Bloch2wanp: 2 / 4
 Bloch2wanp: 3 / 4
 Bloch2wanp: 4 / 4
 Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
 ===================================================================
 Memory usage: VmHWM = 82Mb
 VmPeak = 2570Mb
 ===================================================================
Using uniform q-mesh: 1 1 1
 Size of q point mesh for interpolation: 1
 Using uniform k-mesh: 1 1 1
 Size of k point mesh for interpolation: 2
 Max number of k points per pool: 2
 Fermi energy coarse grid = 13.364654 eV
 Fermi energy is calculated from the fine k-mesh: Ef = 13.528732 eV
 ===================================================================
 ibndmin = 1 ebndmin = -8.131 eV
 ibndmax = 4 ebndmax = 13.365 eV
 Number of ep-matrix elements per pool : 96 ~= 0.75 Kb (@ 8 bytes/ DP)
 We only need to compute 1 q-points
===================================================================
 Memory usage: VmHWM = 82Mb
 VmPeak = 2570Mb
 ===================================================================
 Unfolding on the coarse grid
 elphon_wrap : 2.07s CPU 2.25s WALL ( 1 calls)
 INITIALIZATION:
set_drhoc : 0.03s CPU 0.03s WALL ( 2 calls)
 init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
 init_us_1 : 0.00s CPU 0.00s WALL ( 1 calls)
 Electron-Phonon interpolation
 ephwann : 1.11s CPU 1.20s WALL ( 1 calls)
 ep-interp : 0.00s CPU 0.00s WALL ( 1 calls)
 Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
 Ham: step 2 : 0.00s CPU 0.01s WALL ( 1 calls)
 ep: step 1 : 0.00s CPU 0.00s WALL ( 6 calls)
 ep: step 2 : 0.05s CPU 0.13s WALL ( 1 calls)
 DynW2B : 0.00s CPU 0.00s WALL ( 1 calls)
 HamW2B : 0.00s CPU 0.00s WALL ( 5 calls)
 ephW2Bp : 0.00s CPU 0.00s WALL ( 1 calls)
 ephW2B : 0.00s CPU 0.00s WALL ( 1 calls)
 vmewan2bloch : 0.00s CPU 0.00s WALL ( 2 calls)
 vmewan2bloch : 0.00s CPU 0.00s WALL ( 2 calls)
 Total program execution
 EPW : 8.59s CPU 9.15s WALL
 ===============================================================================
 The functionality-dependent EPW.bib file was created with suggested citations.
Please consider citing the papers listed in EPW.bib.
===============================================================================