Running VASP on 64 cores :
Using executable /home/medea/MD/TaskServer/Tools/vasp6.3.1/Linux-x86_64/vasp_std
running on 64 total cores
distrk: each k-point on 64 cores, 1 groups
distr: one band on 1 cores, 64 groups
vasp.6.3.1 04May22 (build Jun 24 2022 14:24:36) complex
MD_VERSION_INFO: Compiled 2022-06-24T12:52:24-UTC in mrdevlin:/home/medea/data/
build/vasp6.3.1/17134/x86_64/src/src/build/std from svn 17134
This VASP executable licensed from Materials Design, Inc.
POSCAR found : 3 types and 20 ions
scaLAPACK is switched off
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| For optimal performance we recommend to set |
| NCORE = 2 up to number-of-cores-per-socket |
| NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE). |
| This setting can greatly improve the performance of VASP for DFT. |
| The default, NCORE=1 might be grossly inefficient on modern |
| multi-core architectures or massively parallel machines. Do your |
| own testing! More info at https://www.vasp.at/wiki/index.php/NCORE |
| Unfortunately you need to use the default for GW and RPA |
| calculations (for HF NCORE is supported but not extensively tested |
| yet). |
| |
-----------------------------------------------------------------------------
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'large supercell' and for larger cells it |
| might be more efficient to use real-space projection operators. |
| Therefore, try LREAL= Auto in the INCAR file. |
| Mind: For very accurate calculation, you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.). |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.603659365908E+03 0.60366E+03 -0.54196E+04 6656 0.668E+02
DAV: 2 -0.989048270905E+02 -0.70256E+03 -0.69199E+03 9600 0.185E+02
DAV: 3 -0.139242604872E+03 -0.40338E+02 -0.40274E+02 13056 0.402E+01
DAV: 4 -0.139607603816E+03 -0.36500E+00 -0.36497E+00 9152 0.357E+00
DAV: 5 -0.139613968164E+03 -0.63643E-02 -0.63643E-02 11264 0.363E-01 0.312E+01
DAV: 6 -0.127712021161E+03 0.11902E+02 -0.32708E+01 8128 0.113E+01 0.160E+01
DAV: 7 -0.127745952486E+03 -0.33931E-01 -0.26638E+00 11328 0.327E+00 0.874E+00
DAV: 8 -0.127813064251E+03 -0.67112E-01 -0.83635E-01 7872 0.190E+00 0.153E+00
DAV: 9 -0.127760257535E+03 0.52807E-01 -0.29858E-01 9792 0.109E+00 0.486E-01
DAV: 10 -0.127760646316E+03 -0.38878E-03 -0.18533E-02 9152 0.314E-01 0.221E-01
DAV: 11 -0.127762634965E+03 -0.19886E-02 -0.29296E-03 9728 0.143E-01 0.132E-01
DAV: 12 -0.127762568180E+03 0.66785E-04 -0.64615E-04 9984 0.570E-02 0.366E-02
DAV: 13 -0.127762617011E+03 -0.48832E-04 -0.76486E-05 9728 0.189E-02 0.279E-02
DAV: 14 -0.127762615994E+03 0.10174E-05 -0.48596E-05 9984 0.152E-02 0.628E-03
DAV: 15 -0.127762616315E+03 -0.32119E-06 -0.40290E-06 9600 0.474E-03
1 F= -.12776262E+03 E0= -.12776262E+03 d E =-.118560E-22
Linear response reoptimize wavefunctions to high precision
DAV: 1 -0.127762616363E+03 -0.47459E-07 -0.24692E-07 10112 0.122E-03
DAV: 2 -0.127762616363E+03 -0.25466E-09 -0.39194E-09 7552 0.149E-04
DAV: 3 -0.127762616363E+03 -0.10732E-09 -0.46476E-10 8256 0.435E-05
Linear response G [H, r] |phi>, progress :
Direction: 1
N E dE d eps ncg rms
RMM: 1 -0.652232740729E+03 -0.65223E+03 0.38032E+03 16267 0.131E+02
RMM: 2 -0.598201722629E+03 0.54031E+02 -0.18581E+02 13764 0.287E+01
RMM: 3 -0.606049696173E+03 -0.78480E+01 -0.39734E+01 17227 0.966E+00
RMM: 4 -0.607521396486E+03 -0.14717E+01 -0.99256E+00 18058 0.405E+00
RMM: 5 -0.607815387241E+03 -0.29399E+00 -0.12960E+00 18014 0.165E+00
RMM: 6 -0.607892625399E+03 -0.77238E-01 -0.16550E-01 18129 0.702E-01
RMM: 7 -0.607933016113E+03 -0.40391E-01 -0.20516E-01 18197 0.309E-01
RMM: 8 -0.607904368421E+03 0.28648E-01 0.27659E-01 18349 0.145E-01
RMM: 9 -0.607935043407E+03 -0.30675E-01 -0.93524E-04 18549 0.742E-02
RMM: 10 -0.607932781005E+03 0.22624E-02 -0.23877E-03 18775 0.402E-02
RMM: 11 -0.607933713903E+03 -0.93290E-03 0.14006E-02 19085 0.244E-02
RMM: 12 -0.607934296950E+03 -0.58305E-03 0.12095E-03 19186 0.166E-02
RMM: 13 -0.607934808243E+03 -0.51129E-03 0.11984E-03 19250 0.130E-02
RMM: 14 -0.607935179958E+03 -0.37171E-03 -0.24448E-03 19263 0.112E-02
RMM: 15 -0.607935701106E+03 -0.52115E-03 -0.77078E-03 19282 0.103E-02
RMM: 16 -0.607935280112E+03 0.42099E-03 -0.45435E-03 19253 0.983E-03
RMM: 17 -0.607935925724E+03 -0.64561E-03 -0.95216E-03 19232 0.960E-03
Linear response G [H, r] |phi>, progress :
Direction: 2
N E dE d eps ncg rms
RMM: 1 -0.644399988110E+03 -0.64440E+03 0.38585E+03 16169 0.129E+02
RMM: 2 -0.597854061081E+03 0.46546E+02 -0.18714E+02 13667 0.285E+01
RMM: 3 -0.605691121653E+03 -0.78371E+01 -0.41918E+01 17007 0.963E+00
RMM: 4 -0.607090389833E+03 -0.13993E+01 -0.10628E+01 17871 0.402E+00
RMM: 5 -0.607367574939E+03 -0.27719E+00 -0.17794E+00 17993 0.158E+00
RMM: 6 -0.607413804398E+03 -0.46229E-01 -0.41039E-01 18082 0.650E-01
RMM: 7 -0.607414665869E+03 -0.86147E-03 -0.76792E-02 18136 0.281E-01
RMM: 8 -0.607416981661E+03 -0.23158E-02 -0.46142E-03 18322 0.131E-01
RMM: 9 -0.607417498918E+03 -0.51726E-03 -0.19421E-02 18518 0.667E-02
RMM: 10 -0.607417493744E+03 0.51741E-05 0.37629E-03 18784 0.364E-02
RMM: 11 -0.607417648744E+03 -0.15500E-03 -0.39333E-03 19133 0.223E-02
RMM: 12 -0.607417532951E+03 0.11579E-03 0.15280E-03 19183 0.153E-02
RMM: 13 -0.607417674731E+03 -0.14178E-03 -0.18526E-03 19267 0.120E-02
RMM: 14 -0.607417502848E+03 0.17188E-03 0.16749E-03 19293 0.104E-02
RMM: 15 -0.607417656574E+03 -0.15373E-03 -0.10936E-03 19315 0.952E-03
RMM: 16 -0.607417494103E+03 0.16247E-03 0.96003E-04 19265 0.909E-03
RMM: 17 -0.607417628102E+03 -0.13400E-03 -0.44017E-04 19240 0.889E-03
Linear response G [H, r] |phi>, progress :
Direction: 3
N E dE d eps ncg rms
RMM: 1 -0.652109349678E+03 -0.65211E+03 0.38098E+03 16329 0.132E+02
RMM: 2 -0.597817080626E+03 0.54292E+02 -0.18781E+02 13797 0.284E+01
RMM: 3 -0.605571756595E+03 -0.77547E+01 -0.40268E+01 17229 0.950E+00
RMM: 4 -0.606927289604E+03 -0.13555E+01 -0.10139E+01 18095 0.398E+00
RMM: 5 -0.607233326067E+03 -0.30604E+00 -0.18174E+00 18121 0.163E+00
RMM: 6 -0.607285040194E+03 -0.51714E-01 -0.38210E-01 18190 0.691E-01
RMM: 7 -0.607290187263E+03 -0.51471E-02 0.31821E-02 18238 0.303E-01
RMM: 8 -0.607300922822E+03 -0.10736E-01 -0.43210E-02 18376 0.143E-01
RMM: 9 -0.607298493856E+03 0.24290E-02 0.14425E-02 18578 0.732E-02
RMM: 10 -0.607300347946E+03 -0.18541E-02 -0.10224E-02 18792 0.399E-02
RMM: 11 -0.607299431368E+03 0.91658E-03 0.13280E-02 19091 0.242E-02
RMM: 12 -0.607300260196E+03 -0.82883E-03 -0.10354E-03 19180 0.166E-02
RMM: 13 -0.607300146304E+03 0.11389E-03 0.51549E-03 19288 0.130E-02
RMM: 14 -0.607300436567E+03 -0.29026E-03 0.41208E-03 19297 0.113E-02
RMM: 15 -0.607300320264E+03 0.11630E-03 0.36114E-03 19300 0.104E-02
RMM: 16 -0.607300434895E+03 -0.11463E-03 0.16144E-03 19284 0.100E-02
RMM: 17 -0.607300336222E+03 0.98673E-04 0.30056E-03 19267 0.978E-03
Linear response to external field (no local field effect), progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118018879015E+02 -0.11802E+02 -0.67601E+01 16209 0.515E+00
RMM: 2 -0.134121581690E+02 -0.16103E+01 -0.76604E-01 15397 0.130E+00
RMM: 3 -0.134685456421E+02 -0.56387E-01 -0.21381E-01 18121 0.474E-01
RMM: 4 -0.134759447525E+02 -0.73991E-02 -0.32562E-02 18525 0.180E-01
RMM: 5 -0.134770839907E+02 -0.11392E-02 -0.56699E-03 18591 0.723E-02
RMM: 6 -0.134772519581E+02 -0.16797E-03 -0.90888E-04 18515 0.317E-02
RMM: 7 -0.134772820290E+02 -0.30071E-04 -0.64300E-04 18366 0.150E-02
RMM: 8 -0.134772883359E+02 -0.63069E-05 -0.31206E-05 18095 0.743E-03
RMM: 9 -0.134772900831E+02 -0.17472E-05 -0.17112E-04 17978 0.384E-03
RMM: 10 -0.134772905136E+02 -0.43052E-06 -0.32008E-06 17794 0.206E-03
change of polarisation eV/A/(eV/A) component 1 : 26.955 -0.000 0.001
dielectric tensor component 1 : 10.603 -0.000 0.000
Linear response to external field (no local field effect), progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117597318438E+02 -0.11760E+02 -0.67406E+01 16149 0.511E+00
RMM: 2 -0.131226762763E+02 -0.13629E+01 -0.84601E-01 15385 0.127E+00
RMM: 3 -0.131705232179E+02 -0.47847E-01 -0.17641E-01 17896 0.445E-01
RMM: 4 -0.131772626135E+02 -0.67394E-02 -0.27264E-02 18310 0.167E-01
RMM: 5 -0.131782204052E+02 -0.95779E-03 -0.50015E-03 18473 0.684E-02
RMM: 6 -0.131783860393E+02 -0.16563E-03 -0.77170E-04 18433 0.307E-02
RMM: 7 -0.131784189406E+02 -0.32901E-04 -0.88695E-04 18294 0.145E-02
RMM: 8 -0.131784266167E+02 -0.76761E-05 0.35790E-05 17978 0.722E-03
RMM: 9 -0.131784288151E+02 -0.21985E-05 -0.25282E-04 17838 0.375E-03
RMM: 10 -0.131784294830E+02 -0.66782E-06 0.17629E-05 17554 0.203E-03
RMM: 11 -0.131784296824E+02 -0.19947E-06 -0.76511E-05 16917 0.118E-03
RMM: 12 -0.131784297492E+02 -0.66745E-07 0.92892E-06 15833 0.768E-04
change of polarisation eV/A/(eV/A) component 2 : 0.000 26.357 0.005
dielectric tensor component 2 : 0.000 10.390 0.002
Linear response to external field (no local field effect), progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114162271806E+02 -0.11416E+02 -0.64424E+01 16176 0.515E+00
RMM: 2 -0.129829120824E+02 -0.15667E+01 -0.77961E-01 15536 0.132E+00
RMM: 3 -0.130354149431E+02 -0.52503E-01 -0.18735E-01 18123 0.473E-01
RMM: 4 -0.130420646041E+02 -0.66497E-02 -0.28703E-02 18514 0.181E-01
RMM: 5 -0.130430873971E+02 -0.10228E-02 -0.50018E-03 18587 0.728E-02
RMM: 6 -0.130432475814E+02 -0.16018E-03 -0.88503E-04 18567 0.325E-02
RMM: 7 -0.130432763578E+02 -0.28776E-04 -0.70262E-04 18416 0.153E-02
RMM: 8 -0.130432832755E+02 -0.69176E-05 -0.65844E-05 18116 0.764E-03
RMM: 9 -0.130432850227E+02 -0.17472E-05 -0.17807E-04 17904 0.396E-03
RMM: 10 -0.130432855149E+02 -0.49220E-06 -0.78152E-06 17798 0.215E-03
change of polarisation eV/A/(eV/A) component 3 : 0.001 0.005 26.087
dielectric tensor component 3 : 0.000 0.002 10.293
Linear response to external field, progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118018879015E+02 -0.11802E+02 -0.67601E+01 16209 0.515E+00
RMM: 2 -0.134121581690E+02 -0.16103E+01 -0.76604E-01 15397 0.130E+00 0.603E+00
RMM: 3 -0.125496418114E+02 0.86252E+00 -0.17193E+00 15075 0.184E+00 0.301E+00
RMM: 4 -0.122053120034E+02 0.34433E+00 -0.87809E-01 15378 0.145E+00 0.103E+00
RMM: 5 -0.120970060383E+02 0.10831E+00 -0.54284E-02 15257 0.469E-01 0.228E-01
RMM: 6 -0.120838571890E+02 0.13149E-01 -0.16094E-02 17252 0.188E-01 0.130E-01
RMM: 7 -0.120671420331E+02 0.16715E-01 -0.34233E-03 16566 0.951E-02 0.594E-02
RMM: 8 -0.120660365587E+02 0.11055E-02 -0.99072E-04 17797 0.431E-02 0.136E-02
RMM: 9 -0.120646556261E+02 0.13809E-02 -0.21032E-04 18024 0.202E-02 0.573E-03
RMM: 10 -0.120645518813E+02 0.10374E-03 -0.16555E-04 18626 0.102E-02 0.578E-03
RMM: 11 -0.120646015631E+02 -0.49682E-04 -0.74176E-05 18776 0.587E-03 0.159E-03
RMM: 12 -0.120645813409E+02 0.20222E-04 -0.81962E-05 18843 0.389E-03 0.858E-04
RMM: 13 -0.120645955808E+02 -0.14240E-04 -0.65197E-05 18927 0.294E-03 0.277E-04
RMM: 14 -0.120645989044E+02 -0.33236E-05 -0.66920E-05 18645 0.252E-03 0.285E-04
RMM: 15 -0.120645962227E+02 0.26817E-05 -0.61735E-05 17780 0.233E-03 0.738E-05
RMM: 16 -0.120645976383E+02 -0.14155E-05 -0.63985E-05 16642 0.224E-03 0.309E-05
RMM: 17 -0.120645987008E+02 -0.10626E-05 -0.66036E-05 16054 0.221E-03 0.399E-05
RMM: 18 -0.120645984404E+02 0.26045E-06 -0.65996E-05 15718 0.220E-03 0.352E-05
RMM: 19 -0.120645987655E+02 -0.32513E-06 -0.66683E-05 15559 0.219E-03 0.371E-05
change of polarisation eV/A/(eV/A) component 1 : 25.173 0.000 0.001
dielectric tensor component 1 : 9.968 0.000 0.000
Linear response to external field, progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.117597318438E+02 -0.11760E+02 -0.67406E+01 16149 0.511E+00
RMM: 2 -0.131226762763E+02 -0.13629E+01 -0.84601E-01 15385 0.127E+00 0.604E+00
RMM: 3 -0.122849758470E+02 0.83770E+00 -0.16631E+00 15031 0.185E+00 0.302E+00
RMM: 4 -0.118917905805E+02 0.39319E+00 -0.83908E-01 15202 0.142E+00 0.107E+00
RMM: 5 -0.118483334509E+02 0.43457E-01 -0.74793E-03 15470 0.432E-01 0.390E-01
RMM: 6 -0.117784347689E+02 0.69899E-01 -0.11541E-02 16587 0.201E-01 0.167E-01
RMM: 7 -0.117751008232E+02 0.33339E-02 0.23034E-03 17427 0.949E-02 0.739E-02
RMM: 8 -0.117631559014E+02 0.11945E-01 0.38825E-03 16907 0.537E-02 0.290E-02
RMM: 9 -0.117626372557E+02 0.51865E-03 0.39261E-03 18387 0.314E-02 0.654E-03
RMM: 10 -0.117622268367E+02 0.41042E-03 0.62186E-03 18499 0.206E-02 0.263E-03
RMM: 11 -0.117616943695E+02 0.53247E-03 0.84211E-03 18897 0.157E-02 0.295E-03
RMM: 12 -0.117620717892E+02 -0.37742E-03 0.55934E-03 18882 0.136E-02 0.432E-04
RMM: 13 -0.117618499169E+02 0.22187E-03 0.78319E-03 18991 0.126E-02 0.473E-04
RMM: 14 -0.117619406951E+02 -0.90778E-04 0.68184E-03 18718 0.121E-02 0.108E-04
RMM: 15 -0.117622180972E+02 -0.27740E-03 0.41866E-03 18070 0.118E-02 0.146E-04
RMM: 16 -0.117617756943E+02 0.44240E-03 0.86393E-03 17009 0.117E-02 0.644E-05
RMM: 17 -0.117619065194E+02 -0.13083E-03 0.73138E-03 16305 0.117E-02 0.848E-05
RMM: 18 -0.117618946896E+02 0.11830E-04 0.74176E-03 15845 0.117E-02 0.466E-05
RMM: 19 -0.117620171554E+02 -0.12247E-03 0.61894E-03 15578 0.116E-02 0.647E-05
RMM: 20 -0.117620317471E+02 -0.14592E-04 0.60455E-03 15446 0.116E-02 0.399E-05
RMM: 21 -0.117624093010E+02 -0.37755E-03 0.22642E-03 15311 0.116E-02 0.589E-05
RMM: 22 -0.117619144230E+02 0.49488E-03 0.72442E-03 15240 0.116E-02 0.389E-05
RMM: 23 -0.117619567082E+02 -0.42285E-04 0.67998E-03 15034 0.116E-02 0.575E-05
RMM: 24 -0.117618504226E+02 0.10629E-03 0.78859E-03 14890 0.116E-02 0.380E-05
RMM: 25 -0.117617931356E+02 0.57287E-04 0.84327E-03 14805 0.116E-02 0.531E-05
RMM: 26 -0.117617513468E+02 0.41789E-04 0.88734E-03 14740 0.116E-02 0.328E-05
RMM: 27 -0.117616675524E+02 0.83794E-04 0.96989E-03 14586 0.116E-02 0.514E-05
RMM: 28 -0.117618151471E+02 -0.14759E-03 0.82241E-03 14504 0.116E-02 0.347E-05
RMM: 29 -0.117617148989E+02 0.10025E-03 0.92363E-03 14445 0.116E-02 0.485E-05
RMM: 30 -0.117617981921E+02 -0.83293E-04 0.83952E-03 14383 0.116E-02 0.405E-05
RMM: 31 -0.117616729617E+02 0.12523E-03 0.96588E-03 14312 0.116E-02 0.521E-05
RMM: 32 -0.117618311601E+02 -0.15820E-03 0.80595E-03 14316 0.116E-02 0.395E-05
RMM: 33 -0.117616248455E+02 0.20631E-03 0.10139E-02 14229 0.116E-02 0.546E-05
RMM: 34 -0.117617600944E+02 -0.13525E-03 0.87698E-03 14168 0.116E-02 0.411E-05
RMM: 35 -0.117618630055E+02 -0.10291E-03 0.77557E-03 14144 0.116E-02 0.531E-05
RMM: 36 -0.117619235621E+02 -0.60557E-04 0.71380E-03 14083 0.116E-02 0.449E-05
RMM: 37 -0.117618948977E+02 0.28664E-04 0.74405E-03 14035 0.116E-02 0.539E-05
RMM: 38 -0.117620149848E+02 -0.12009E-03 0.62343E-03 14005 0.116E-02 0.411E-05
RMM: 39 -0.117619249230E+02 0.90062E-04 0.71309E-03 13954 0.116E-02 0.551E-05
RMM: 40 -0.117620811594E+02 -0.15624E-03 0.55835E-03 13966 0.116E-02 0.440E-05
RMM: 41 -0.117617433318E+02 0.33783E-03 0.89332E-03 13956 0.116E-02 0.572E-05
RMM: 42 -0.117619700699E+02 -0.22674E-03 0.66892E-03 13887 0.116E-02 0.460E-05
RMM: 43 -0.117617296282E+02 0.24044E-03 0.90899E-03 13890 0.116E-02 0.568E-05
RMM: 44 -0.117620383088E+02 -0.30868E-03 0.60025E-03 13862 0.116E-02 0.416E-05
RMM: 45 -0.117614684086E+02 0.56990E-03 0.11680E-02 13856 0.116E-02 0.507E-05
RMM: 46 -0.117621329302E+02 -0.66452E-03 0.50548E-03 13811 0.116E-02 0.447E-05
RMM: 47 -0.117617104178E+02 0.42251E-03 0.92617E-03 13785 0.116E-02 0.487E-05
change of polarisation eV/A/(eV/A) component 2 : 0.000 24.510 0.008
dielectric tensor component 2 : 0.000 9.732 0.003
Linear response to external field, progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114162271806E+02 -0.11416E+02 -0.64424E+01 16176 0.515E+00
RMM: 2 -0.129829120824E+02 -0.15667E+01 -0.77961E-01 15536 0.132E+00 0.604E+00
RMM: 3 -0.120143662246E+02 0.96855E+00 -0.18389E+00 15111 0.189E+00 0.300E+00
RMM: 4 -0.116738321903E+02 0.34053E+00 -0.83234E-01 15563 0.139E+00 0.111E+00
RMM: 5 -0.115848039138E+02 0.89028E-01 -0.55148E-02 15542 0.446E-01 0.395E-01
RMM: 6 -0.115375132597E+02 0.47291E-01 -0.16197E-02 16716 0.199E-01 0.170E-01
RMM: 7 -0.115305435047E+02 0.69698E-02 -0.39468E-03 16999 0.960E-02 0.722E-02
RMM: 8 -0.115201387196E+02 0.10405E-01 -0.11629E-03 17716 0.456E-02 0.199E-02
RMM: 9 -0.115192997946E+02 0.83893E-03 -0.61066E-04 18239 0.230E-02 0.609E-03
RMM: 10 -0.115188049175E+02 0.49488E-03 -0.48531E-04 18742 0.122E-02 0.395E-03
RMM: 11 -0.115189324350E+02 -0.12752E-03 -0.60759E-04 18938 0.768E-03 0.175E-03
RMM: 12 -0.115188926816E+02 0.39753E-04 -0.26140E-04 18691 0.577E-03 0.326E-04
RMM: 13 -0.115189378889E+02 -0.45207E-04 -0.47424E-04 18972 0.476E-03 0.308E-04
RMM: 14 -0.115189242696E+02 0.13619E-04 -0.32737E-04 18723 0.428E-03 0.132E-04
RMM: 15 -0.115189369390E+02 -0.12669E-04 -0.47770E-04 17908 0.406E-03 0.843E-05
RMM: 16 -0.115189295221E+02 0.74170E-05 -0.38716E-04 16802 0.396E-03 0.327E-05
RMM: 17 -0.115189392466E+02 -0.97245E-05 -0.50247E-04 16091 0.392E-03 0.354E-05
RMM: 18 -0.115189321101E+02 0.71364E-05 -0.41741E-04 15746 0.390E-03 0.237E-05
RMM: 19 -0.115189375401E+02 -0.54300E-05 -0.48148E-04 15531 0.390E-03 0.243E-05
RMM: 20 -0.115189347920E+02 0.27481E-05 -0.44556E-04 15428 0.390E-03 0.203E-05
RMM: 21 -0.115189349983E+02 -0.20625E-06 -0.45823E-04 15321 0.389E-03 0.211E-05
RMM: 22 -0.115189382211E+02 -0.32229E-05 -0.48256E-04 15212 0.389E-03 0.213E-05
change of polarisation eV/A/(eV/A) component 3 : 0.001 0.008 24.074
dielectric tensor component 3 : 0.000 0.003 9.576
Born effective charges drift removed