Home
last modified time | relevance | path

Searched refs:eV (Results 1 – 25 of 3104) sorted by relevance

12345678910>>...125

/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/example06/reference/
H A DFe.bands.out39 Plottable bands (eV) written to file fe.band.gnu
135 e( 1 - 1) = 7.89478 eV 1 --> G_6+
136 e( 2 - 2) = 7.89507 eV 1 --> G_8+
137 e( 3 - 3) = 9.74736 eV 1 --> G_5+
138 e( 4 - 4) = 9.74842 eV 1 --> G_7+
139 e( 5 - 5) = 12.63556 eV 1 --> G_5+
140 e( 6 - 6) = 12.67014 eV 1 --> G_8+
141 e( 7 - 7) = 12.70498 eV 1 --> G_7+
142 e( 8 - 8) = 14.76880 eV 1 --> G_6+
143 e( 9 - 9) = 14.80545 eV 1 --> G_7+
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/example02/reference/
H A Dni.pdos.out56 ==== e( 1) = 5.74731 eV ====
59 ==== e( 2) = 12.65965 eV ====
62 ==== e( 3) = 12.65965 eV ====
65 ==== e( 4) = 12.65965 eV ====
68 ==== e( 5) = 13.95722 eV ====
71 ==== e( 6) = 13.95722 eV ====
74 ==== e( 7) = 39.87531 eV ====
77 ==== e( 8) = 44.27256 eV ====
82 ==== e( 1) = 6.03574 eV ====
85 ==== e( 2) = 12.58198 eV ====
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/fermisurf_example/reference/
H A Dmgb2.proj.out82 ==== e( 1) = -4.79596 eV ====
85 ==== e( 2) = 4.70463 eV ====
88 ==== e( 3) = 8.05773 eV ====
91 ==== e( 4) = 8.05773 eV ====
94 ==== e( 5) = 9.30624 eV ====
97 ==== e( 6) = 14.04383 eV ====
101 ==== e( 7) = 14.04383 eV ====
105 ==== e( 8) = 15.88971 eV ====
110 ==== e( 1) = -4.73585 eV ====
114 ==== e( 2) = 4.21743 eV ====
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/MolDos_example/reference/
H A DchainH2_onto_H2.k.out24 ==== e( 1) = -15.20950 eV ====
27 ==== e( 2) = -12.58701 eV ====
30 ==== e( 3) = -12.46323 eV ====
33 ==== e( 4) = -7.25391 eV ====
36 ==== e( 5) = -4.31438 eV ====
39 ==== e( 6) = -4.13502 eV ====
42 ==== e( 7) = 2.37282 eV ====
45 ==== e( 8) = 2.73269 eV ====
48 ==== e( 9) = 5.12915 eV ====
51 ==== e( 10) = 5.99190 eV ====
[all …]
H A DchainH2.k.projwfc.out75 ==== e( 1) = -15.20950 eV ====
80 ==== e( 2) = -12.58701 eV ====
85 ==== e( 3) = -12.46323 eV ====
89 ==== e( 4) = -7.25391 eV ====
94 ==== e( 5) = -4.31438 eV ====
98 ==== e( 6) = -4.13502 eV ====
103 ==== e( 7) = 2.37282 eV ====
107 ==== e( 8) = 2.73269 eV ====
111 ==== e( 9) = 5.12915 eV ====
115 ==== e( 10) = 5.99190 eV ====
[all …]
H A DchainH2_onto_H2.out24 ==== e( 1) = -15.19434 eV ====
27 ==== e( 2) = -12.85077 eV ====
30 ==== e( 3) = -12.16863 eV ====
33 ==== e( 4) = -7.26331 eV ====
36 ==== e( 5) = -4.87281 eV ====
39 ==== e( 6) = -3.53685 eV ====
42 ==== e( 7) = 2.30154 eV ====
45 ==== e( 8) = 2.82097 eV ====
48 ==== e( 9) = 5.13638 eV ====
51 ==== e( 10) = 6.00372 eV ====
[all …]
H A DH2.k.projwfc.out65 ==== e( 1) = -10.19010 eV ====
68 ==== e( 2) = -0.72900 eV ====
71 ==== e( 3) = -0.55828 eV ====
74 ==== e( 4) = 2.82476 eV ====
77 ==== e( 5) = 5.76813 eV ====
82 ==== e( 1) = -10.19009 eV ====
85 ==== e( 2) = -0.75585 eV ====
88 ==== e( 3) = -0.52860 eV ====
91 ==== e( 4) = 2.82239 eV ====
94 ==== e( 5) = 5.76227 eV ====
[all …]
H A DchainH2.projwfc.out75 ==== e( 1) = -15.19434 eV ====
80 ==== e( 2) = -12.85077 eV ====
85 ==== e( 3) = -12.16863 eV ====
90 ==== e( 4) = -7.26331 eV ====
95 ==== e( 5) = -4.87281 eV ====
100 ==== e( 6) = -3.53685 eV ====
105 ==== e( 7) = 2.30154 eV ====
110 ==== e( 8) = 2.82097 eV ====
115 ==== e( 9) = 5.13638 eV ====
119 ==== e( 10) = 6.00372 eV ====
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/example01/reference/
H A Dsi.bands.out40 Plottable bands (eV) written to file sibands.dat.gnu
76 e( 1 - 1) = -3.45529 eV 1 --> A_1 L_1
77 e( 2 - 2) = -0.76897 eV 1 --> A_1 L_1
78 e( 3 - 4) = 5.03350 eV 2 --> E L_3
79 e( 5 - 5) = 7.81898 eV 1 --> A_1 L_1
80 e( 6 - 7) = 9.60218 eV 2 --> E L_3
81 e( 8 - 8) = 13.84628 eV 1 --> A_1 L_1
91 e( 1 - 1) = -3.55882 eV 1 --> A_1 L_1
92 e( 2 - 2) = -0.61807 eV 1 --> A_1 L_1
93 e( 3 - 4) = 5.04724 eV 2 --> E L_3
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_base/
H A Dbenchmark.out.git.inp=epw3.in.args=3127 Fermi energy coarse grid = 14.009579 eV
152 Fermi Surface thickness = 15.000000 eV
154 Golden Rule strictly enforced with T = 0.025852 eV
155 Gaussian Broadening: 1.000000 eV, ngauss= 1
167 ik = 1 w = -4.0000 eV A(k,w) = 0.11216E-04 meV^-1
168 ik = 1 w = -3.7368 eV A(k,w) = 0.12782E-04 meV^-1
169 ik = 1 w = -3.4737 eV A(k,w) = 0.14631E-04 meV^-1
170 ik = 1 w = -3.2105 eV A(k,w) = 0.16820E-04 meV^-1
171 ik = 1 w = -2.9474 eV A(k,w) = 0.19302E-04 meV^-1
172 ik = 1 w = -2.6842 eV A(k,w) = 0.21866E-04 meV^-1
[all …]
H A Dbenchmark.out.git.inp=epw4.in.args=3127 Fermi energy coarse grid = 14.009579 eV
152 Fermi Surface thickness = 15.000000 eV
154 Golden Rule strictly enforced with T = 0.025852 eV
155 Gaussian Broadening: 1.000000 eV, ngauss= 1
164 …E( 1 )= -2.0314 eV Re[Sigma]= -92.996102 meV Im[Sigma]= 488.110422 meV Z= 1…
165 …E( 2 )= -0.4915 eV Re[Sigma]= -6.736412 meV Im[Sigma]= 441.621510 meV Z= 1…
166 …E( 3 )= 10.6149 eV Re[Sigma]= -63.565065 meV Im[Sigma]= 440.798679 meV Z= 1…
167 …E( 4 )= 10.6149 eV Re[Sigma]= -63.565065 meV Im[Sigma]= 440.798679 meV Z= 1…
173 …E( 1 )= -2.0404 eV Re[Sigma]= -104.296945 meV Im[Sigma]= 502.468817 meV Z= 1…
174 …E( 2 )= -0.4805 eV Re[Sigma]= -2.766837 meV Im[Sigma]= 446.121065 meV Z= 1…
[all …]
H A Dbenchmark.out.git.inp=epw1.in.args=3386 Fermi energy coarse grid = 14.009579 eV
388 Fermi energy is calculated from the fine k-mesh: Ef = 13.576268 eV
409 Fermi Surface thickness = 15.000000 eV
411 Golden Rule strictly enforced with T = 0.025852 eV
412 Gaussian Broadening: 1.000000 eV, ngauss= 1
421 …E( 1 )= -21.5330 eV Re[Sigma]= -64.672637 meV Im[Sigma]= 6.811959 meV Z= 0…
422 …E( 2 )= 0.3145 eV Re[Sigma]= 144.079299 meV Im[Sigma]= 42.024385 meV Z= 0…
423 …E( 3 )= 0.3145 eV Re[Sigma]= 144.079299 meV Im[Sigma]= 42.024385 meV Z= 0…
424 …E( 4 )= 0.3145 eV Re[Sigma]= 144.079299 meV Im[Sigma]= 42.024385 meV Z= 0…
430 …E( 1 )= -20.7958 eV Re[Sigma]= -65.522689 meV Im[Sigma]= 15.299124 meV Z= 0…
[all …]
H A Dbenchmark.out.git.inp=epw10.in.args=3238 Fermi energy coarse grid = 14.009579 eV
240 Fermi energy is calculated from the fine k-mesh: Ef = 13.574362 eV
263 Fermi Surface thickness = 15.000000 eV
265 Golden Rule strictly enforced with T = 0.025852 eV
266 Gaussian Broadening: 1.000000 eV, ngauss= 1
275 …E( 1 )= -21.5311 eV Re[Sigma]= -64.194973 meV Im[Sigma]= 4.762017 meV Z= 0…
276 …E( 2 )= 0.3164 eV Re[Sigma]= 142.724045 meV Im[Sigma]= 40.647057 meV Z= 0…
277 …E( 3 )= 0.3164 eV Re[Sigma]= 142.724045 meV Im[Sigma]= 40.647057 meV Z= 0…
278 …E( 4 )= 0.3164 eV Re[Sigma]= 142.724045 meV Im[Sigma]= 40.647057 meV Z= 0…
284 …E( 1 )= -20.6564 eV Re[Sigma]= -66.887901 meV Im[Sigma]= 14.416646 meV Z= 0…
[all …]
H A Dbenchmark.out.git.inp=epw7.in.args=3127 Fermi energy coarse grid = 14.009579 eV
129 Fermi energy is calculated from the fine k-mesh: Ef = 13.315712 eV
152 Fermi Surface thickness = 1.500000 eV
154 Golden Rule strictly enforced with T = 0.025852 eV
155 Gaussian Broadening: 0.300000 eV, ngauss= 1
166 …E( 2 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
167 …E( 3 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
168 …E( 4 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
174 …E( 2 )= -2.3320 eV Re[Sigma]= -16.181275 meV Im[Sigma]= 40.922052 meV Z= 1…
175 …E( 3 )= -0.1922 eV Re[Sigma]= 74.808889 meV Im[Sigma]= 118.814076 meV Z= 1…
[all …]
H A Dbenchmark.out.git.inp=epw8.in.args=3127 Fermi energy coarse grid = 14.009579 eV
129 Fermi energy is calculated from the fine k-mesh: Ef = 13.315712 eV
153 …E( 2 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
154 …E( 3 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
155 …E( 4 )= 0.5751 eV Re[Sigma]= 61.184487 meV Im[Sigma]= 33.461820 meV Z= 1…
161 …E( 2 )= -2.3320 eV Re[Sigma]= -16.181275 meV Im[Sigma]= 40.922052 meV Z= 1…
162 …E( 3 )= -0.1922 eV Re[Sigma]= 74.808889 meV Im[Sigma]= 118.814076 meV Z= 1…
163 …E( 4 )= -0.1922 eV Re[Sigma]= 74.808889 meV Im[Sigma]= 118.814076 meV Z= 1…
169 …E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1…
170 …E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1…
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/example04/reference/
H A Dpt.pdos.out85 ==== e( 1) = 7.27276 eV ====
88 ==== e( 2) = 7.27276 eV ====
91 ==== e( 3) = 13.29709 eV ====
96 ==== e( 4) = 13.29709 eV ====
101 ==== e( 5) = 13.29709 eV ====
106 ==== e( 6) = 13.29709 eV ====
111 ==== e( 7) = 14.29074 eV ====
114 ==== e( 8) = 14.29074 eV ====
117 ==== e( 9) = 16.11862 eV ====
122 ==== e( 10) = 16.11862 eV ====
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_pl/
H A Dbenchmark.out.git.inp=epw1.in.args=3328 Fermi energy coarse grid = 6.047016 eV
332 Fermi energy is read from the input file: Ef = 6.650000 eV
354 Fermi Surface thickness = 3.000000 eV
356 Golden Rule strictly enforced with T = 0.001723 eV
357 Gaussian Broadening: 0.010000 eV, ngauss= 1
377 Fermi Surface thickness = 3.000000 eV
379 Golden Rule strictly enforced with T = 0.001723 eV
380 Gaussian Broadening: 0.010000 eV, ngauss= 1
3122 ik = 1 w = 6.0000 eV A(k,w) = 0.17592E-05 meV^-1
3123 ik = 1 w = 6.1053 eV A(k,w) = 0.31996E-05 meV^-1
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/examples/diamond/epw/out.ref/
H A Depw2.out398 Fermi energy coarse grid = 12.903848 eV
402 Fermi energy is read from the input file: Ef = 13.209862 eV
413 Fermi Surface thickness = 1.360570 eV
415 Golden Rule strictly enforced with T = 0.025852 eV
416 Gaussian Broadening: 0.100000 eV, ngauss= 1
417 DOS = 0.237055 states/spin/eV/Unit Cell at Ef= 13.209862 eV
423 … E( 2 )= -13.1693 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
424 … E( 3 )= -2.3049 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
425 … E( 4 )= -2.3049 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
431 … E( 2 )= -13.1594 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/epw_polar/
H A Dbenchmark.out.git.inp=epw3.in.args=3133 Fermi energy coarse grid = 10.054876 eV
135 Fermi energy is calculated from the fine k-mesh: Ef = 10.139062 eV
153 EF = 0.10000000 eV, kF = 0.05961990 au^-1, rs = 3.85435883
160 Fermi Surface thickness = 2.000000 eV
162 Golden Rule strictly enforced with T = 0.025852 eV
163 Gaussian Broadening: 0.100000 eV, ngauss= 1
172 …E( 2 )= -0.0842 eV Re[Sigma]= 65.319595 meV Im[Sigma]= 4.275241 meV Z= 0…
173 …E( 3 )= -0.0842 eV Re[Sigma]= 65.319595 meV Im[Sigma]= 4.275241 meV Z= 0…
174 …E( 4 )= -0.0842 eV Re[Sigma]= 65.319595 meV Im[Sigma]= 4.275241 meV Z= 0…
180 …E( 2 )= -2.1472 eV Re[Sigma]= -60.980453 meV Im[Sigma]= 59.830443 meV Z= 0…
[all …]
H A Dbenchmark.out.git.inp=epw1.in.args=3400 Fermi energy coarse grid = 10.054876 eV
402 Fermi energy is calculated from the fine k-mesh: Ef = 10.139062 eV
421 Fermi Surface thickness = 2.000000 eV
423 Golden Rule strictly enforced with T = 0.025852 eV
424 Gaussian Broadening: 0.100000 eV, ngauss= 1
433 …E( 2 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
434 …E( 3 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
435 …E( 4 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
441 …E( 2 )= -2.1472 eV Re[Sigma]= -61.221572 meV Im[Sigma]= 60.264897 meV Z= 0…
442 …E( 3 )= -0.3746 eV Re[Sigma]= 82.350630 meV Im[Sigma]= 52.082886 meV Z= 0…
[all …]
H A Dbenchmark.out.git.inp=epw2.in.args=3371 Fermi energy coarse grid = 10.054876 eV
373 Fermi energy is calculated from the fine k-mesh: Ef = 10.139062 eV
394 Fermi Surface thickness = 2.000000 eV
396 Golden Rule strictly enforced with T = 0.025852 eV
397 Gaussian Broadening: 0.100000 eV, ngauss= 1
406 …E( 2 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
407 …E( 3 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
408 …E( 4 )= -0.0842 eV Re[Sigma]= 66.269178 meV Im[Sigma]= 4.277630 meV Z= 0…
414 …E( 2 )= -2.1472 eV Re[Sigma]= -61.221571 meV Im[Sigma]= 60.264897 meV Z= 0…
415 …E( 3 )= -0.3746 eV Re[Sigma]= 82.350630 meV Im[Sigma]= 52.082886 meV Z= 0…
[all …]
/dports/science/siesta/siesta-4.1.5/Src/
H A Dwrite_subs.F261 . 'siesta: ', Psol*Ang**3/eV, Pmol*Ang**3/eV, ' eV/Ang**3',
341 . Uscf-Uatm)/eV,
503 . 'ts-scf: ',iscf, NEGF_Eharrs/eV, NEGF_Etot/eV,
505 & dDmax, Efs(1:2)/eV, dHmax/eV
513 . 'ts-scf: ',iscf, NEGF_Eharrs/eV, NEGF_Etot/eV,
515 & dDmax, Ef /eV, dHmax/eV
525 . 'scf: ',iscf, Eharrs/eV, Etot/eV,
526 & FreeE/eV,dDmax, Efs(1:2)/eV, dHmax/eV
534 . 'scf: ',iscf, Eharrs/eV, Etot/eV,
535 & FreeE/eV,dDmax, Ef /eV, dHmax/eV
[all …]
/dports/science/wannier90/wannier90-3.1.0/examples/example24/reference/
H A DTe-gyrotropic-NOA_orb.dat3 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
7 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
11 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
15 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
19 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
23 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
27 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
31 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
35 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
39 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
[all …]
/dports/science/wannier90/wannier90-3.1.0/examples/example24/reference1/
H A DTe-gyrotropic-NOA_orb.dat3 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
7 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
11 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
15 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
19 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
23 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
27 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
31 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
35 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
39 …# EFERMI(eV) omega(eV) yzx zxy xyz yzy …
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_scdm/
H A Dbenchmark.out.git.inp=epw2.in.args=3170 mu = 10.000 eV
171 sigma = 4.000 eV
393 Fermi energy coarse grid = 6.239983 eV
395 Fermi energy is calculated from the fine k-mesh: Ef = 6.994451 eV
416 Fermi Surface thickness = 1.200000 eV
418 Golden Rule strictly enforced with T = 0.000086 eV
419 Gaussian Broadening: 0.010000 eV, ngauss= 1
426 …E( 2 )= -7.8789 eV Re[Sigma]= -16.089144 meV Im[Sigma]= 18.697174 meV Z= 0…
427 …E( 3 )= -1.8751 eV Re[Sigma]= -132.807512 meV Im[Sigma]= 127.956859 meV Z= 4…
428 …E( 4 )= -1.7352 eV Re[Sigma]= 52.216774 meV Im[Sigma]= 119.424464 meV Z= 1…
[all …]

12345678910>>...125