materials_displacements.zip
materials_displacements
BaTiO3
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.83151.in
3.4 kB
2+6_3.85146.in
3.4 kB
2+6_3.87142.in
3.4 kB
2+6_3.89137.in
3.4 kB
2+6_3.91133.in
3.4 kB
2+6_3.91532.in
3.4 kB
2+6_3.91931.in
3.4 kB
2+6_3.9233.in
3.4 kB
2+6_3.92729.in
3.4 kB
2+6_3.93128.in
3.4 kB
2+6_3.93528.in
3.4 kB
2+6_3.93927.in
3.4 kB
2+6_3.94326.in
3.4 kB
2+6_3.94725.in
3.4 kB
2+6_3.95124.in
3.4 kB
2+6_3.95523.in
3.4 kB
2+6_3.95922.in
3.4 kB
2+6_3.96321.in
3.4 kB
2+6_3.9672.in
3.4 kB
2+6_3.9712.in
3.4 kB
2+6_3.97519.in
3.4 kB
2+6_3.97918.in
3.4 kB
2+6_3.98317.in
3.4 kB
2+6_3.98716.in
3.4 kB
2+6_3.99115.in
3.4 kB
2+6_4.01111.in
3.4 kB
2+6_4.03106.in
3.4 kB
2+6_4.05102.in
3.4 kB
2+6_4.07097.in
3.4 kB
2+6_4.09093.in
3.5 kB
2+6_4.11089.in
3.5 kB
2+6_4.13084.in
3.5 kB
2+6_4.1508.in
3.5 kB
2+6_4.17075.in
3.5 kB
4+4_3.80998.in
3.4 kB
4+4_3.82992.in
3.4 kB
4+4_3.84987.in
3.4 kB
4+4_3.86982.in
3.4 kB
4+4_3.88977.in
3.4 kB
4+4_3.90971.in
3.4 kB
4+4_3.9137.in
3.4 kB
4+4_3.91769.in
3.4 kB
4+4_3.92168.in
3.4 kB
4+4_3.92567.in
3.4 kB
4+4_3.92966.in
3.4 kB
4+4_3.93365.in
3.4 kB
4+4_3.93764.in
3.4 kB
4+4_3.94163.in
3.4 kB
4+4_3.94562.in
3.4 kB
4+4_3.94961.in
3.4 kB
4+4_3.9536.in
3.4 kB
4+4_3.95759.in
3.4 kB
4+4_3.96158.in
3.4 kB
4+4_3.96557.in
3.4 kB
4+4_3.96956.in
3.4 kB
4+4_3.97355.in
3.4 kB
4+4_3.97754.in
3.4 kB
4+4_3.98153.in
3.4 kB
4+4_3.98552.in
3.4 kB
4+4_3.9895.in
3.4 kB
4+4_4.00945.in
3.4 kB
4+4_4.0294.in
3.4 kB
4+4_4.04935.in
3.4 kB
4+4_4.06929.in
3.4 kB
4+4_4.08924.in
3.4 kB
4+4_4.10919.in
3.4 kB
4+4_4.12914.in
3.4 kB
4+4_4.14909.in
3.4 kB
4+4_4.16903.in
3.4 kB
pw-outputs
2+6_3.81155.out
498.7 kB
2+6_3.83151.out
502.6 kB
2+6_3.85146.out
631.5 kB
2+6_3.87142.out
669.0 kB
2+6_3.89137.out
683.3 kB
2+6_3.91133.out
764.2 kB
2+6_3.91532.out
814.9 kB
2+6_3.91931.out
771.3 kB
2+6_3.9233.out
695.2 kB
2+6_3.92729.out
739.1 kB
2+6_3.93128.out
735.1 kB
2+6_3.93528.out
731.8 kB
2+6_3.93927.out
770.0 kB
2+6_3.94326.out
732.3 kB
2+6_3.94725.out
683.3 kB
2+6_3.95124.out
643.4 kB
2+6_3.95523.out
547.1 kB
2+6_3.95922.out
508.3 kB
2+6_3.96321.out
503.5 kB
2+6_3.9672.out
460.5 kB
2+6_3.9712.out
508.8 kB
2+6_3.97519.out
500.3 kB
2+6_3.97918.out
461.1 kB
2+6_3.98317.out
460.4 kB
2+6_3.98716.out
461.2 kB
2+6_3.99115.out
737.3 kB
2+6_4.01111.out
688.7 kB
2+6_4.03106.out
690.7 kB
2+6_4.05102.out
727.0 kB
2+6_4.07097.out
732.4 kB
2+6_4.09093.out
810.1 kB
2+6_4.11089.out
868.9 kB
2+6_4.13084.out
908.7 kB
2+6_4.1508.out
949.4 kB
2+6_4.17075.out
996.6 kB
4+4_3.80998.out
498.1 kB
4+4_3.82992.out
500.3 kB
4+4_3.84987.out
491.8 kB
4+4_3.86982.out
548.2 kB
4+4_3.88977.out
540.7 kB
4+4_3.90971.out
543.1 kB
4+4_3.9137.out
584.5 kB
4+4_3.91769.out
586.0 kB
4+4_3.92168.out
548.2 kB
4+4_3.92567.out
597.3 kB
4+4_3.92966.out
601.2 kB
4+4_3.93365.out
637.7 kB
4+4_3.93764.out
553.2 kB
4+4_3.94163.out
542.2 kB
4+4_3.94562.out
587.4 kB
4+4_3.94961.out
601.2 kB
4+4_3.9536.out
563.9 kB
4+4_3.95759.out
598.4 kB
4+4_3.96158.out
554.0 kB
4+4_3.96557.out
548.3 kB
4+4_3.96956.out
549.0 kB
4+4_3.97355.out
548.9 kB
4+4_3.97754.out
508.6 kB
4+4_3.98153.out
504.2 kB
4+4_3.98552.out
419.6 kB
4+4_3.9895.out
428.5 kB
4+4_4.00945.out
504.8 kB
4+4_4.0294.out
547.5 kB
4+4_4.04935.out
596.6 kB
4+4_4.06929.out
650.1 kB
4+4_4.08924.out
656.7 kB
4+4_4.10919.out
659.7 kB
4+4_4.12914.out
646.4 kB
4+4_4.14909.out
680.5 kB
4+4_4.16903.out
908.3 kB
BaTiO3_LDA
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.83151.in
3.4 kB
2+6_3.85146.in
3.4 kB
2+6_3.87142.in
3.4 kB
2+6_3.89137.in
3.4 kB
2+6_3.91133.in
3.4 kB
2+6_3.93128.in
3.4 kB
2+6_3.95124.in
3.4 kB
2+6_3.9712.in
3.4 kB
2+6_3.99204.in
3.4 kB
2+6_4.01111.in
3.4 kB
2+6_4.03106.in
3.4 kB
2+6_4.05102.in
3.4 kB
2+6_4.07097.in
3.4 kB
2+6_4.09093.in
3.4 kB
2+6_4.11089.in
3.4 kB
2+6_4.13084.in
3.4 kB
2+6_4.1508.in
3.4 kB
2+6_4.17075.in
3.4 kB
4+4_3.80998.in
3.4 kB
4+4_3.82992.in
3.4 kB
4+4_3.84987.in
3.4 kB
4+4_3.86982.in
3.4 kB
4+4_3.88977.in
3.4 kB
4+4_3.90971.in
3.4 kB
4+4_3.92966.in
3.4 kB
4+4_3.94961.in
3.4 kB
4+4_3.96956.in
3.4 kB
4+4_3.99002.in
3.4 kB
4+4_4.00945.in
3.4 kB
4+4_4.0294.in
3.4 kB
4+4_4.04935.in
3.4 kB
4+4_4.06929.in
3.4 kB
4+4_4.08924.in
3.4 kB
4+4_4.10919.in
3.4 kB
4+4_4.12914.in
3.4 kB
4+4_4.14909.in
3.4 kB
4+4_4.16903.in
3.4 kB
pw-outputs
2+6_3.81155.out
142.5 kB
2+6_3.83151.out
146.9 kB
2+6_3.85146.out
147.2 kB
2+6_3.87142.out
155.0 kB
2+6_3.89137.out
152.0 kB
2+6_3.91133.out
150.6 kB
2+6_3.93128.out
145.1 kB
2+6_3.95124.out
533.6 kB
2+6_3.9712.out
488.4 kB
2+6_3.99204.out
729.8 kB
2+6_4.01111.out
495.3 kB
2+6_4.03106.out
447.7 kB
2+6_4.05102.out
330.7 kB
2+6_4.07097.out
444.8 kB
2+6_4.09093.out
598.6 kB
2+6_4.11089.out
742.5 kB
2+6_4.13084.out
653.0 kB
2+6_4.1508.out
645.8 kB
2+6_4.17075.out
642.9 kB
4+4_3.80998.out
144.7 kB
4+4_3.82992.out
145.1 kB
4+4_3.84987.out
149.4 kB
4+4_3.86982.out
148.1 kB
4+4_3.88977.out
149.5 kB
4+4_3.90971.out
143.6 kB
4+4_3.92966.out
151.0 kB
4+4_3.94961.out
629.4 kB
4+4_3.96956.out
545.9 kB
4+4_3.99002.out
605.7 kB
4+4_4.00945.out
363.5 kB
4+4_4.0294.out
322.9 kB
4+4_4.04935.out
278.6 kB
4+4_4.06929.out
370.1 kB
4+4_4.08924.out
411.4 kB
4+4_4.10919.out
496.5 kB
4+4_4.12914.out
451.2 kB
4+4_4.14909.out
448.7 kB
4+4_4.16903.out
406.1 kB
BaTiO3_PBE
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.8315.in
3.4 kB
2+6_3.85145.in
3.4 kB
2+6_3.8714.in
3.4 kB
2+6_3.89135.in
3.4 kB
2+6_3.91135.in
3.4 kB
2+6_3.9153.in
3.4 kB
2+6_3.9193.in
3.4 kB
2+6_3.9233.in
3.4 kB
2+6_3.9273.in
3.4 kB
2+6_3.9313.in
3.4 kB
2+6_3.9353.in
3.4 kB
2+6_3.93925.in
3.4 kB
2+6_3.94325.in
3.4 kB
2+6_3.94725.in
3.4 kB
2+6_3.95125.in
3.4 kB
2+6_3.95525.in
3.4 kB
2+6_3.9592.in
3.4 kB
2+6_3.9632.in
3.4 kB
2+6_3.9672.in
3.4 kB
2+6_3.9712.in
3.4 kB
2+6_3.9752.in
3.4 kB
2+6_3.9792.in
3.4 kB
2+6_3.98315.in
3.4 kB
2+6_3.98715.in
3.4 kB
2+6_4.0111.in
3.4 kB
2+6_4.03105.in
3.4 kB
2+6_4.051.in
3.4 kB
2+6_4.071.in
3.4 kB
2+6_4.09095.in
3.4 kB
2+6_4.1109.in
3.4 kB
2+6_4.13085.in
3.4 kB
2+6_4.1508.in
3.4 kB
2+6_4.17075.in
3.4 kB
4+4_3.81155.in
3.4 kB
4+4_3.8315.in
3.4 kB
4+4_3.85145.in
3.4 kB
4+4_3.8714.in
3.4 kB
4+4_3.89135.in
3.4 kB
4+4_3.91135.in
3.4 kB
4+4_3.9153.in
3.4 kB
4+4_3.9193.in
3.4 kB
4+4_3.9233.in
3.4 kB
4+4_3.9273.in
3.4 kB
4+4_3.9313.in
3.4 kB
4+4_3.9353.in
3.4 kB
4+4_3.93925.in
3.4 kB
4+4_3.94325.in
3.4 kB
4+4_3.94725.in
3.4 kB
4+4_3.95125.in
3.4 kB
4+4_3.95525.in
3.4 kB
4+4_3.9592.in
3.4 kB
4+4_3.9632.in
3.4 kB
4+4_3.9672.in
3.4 kB
4+4_3.9712.in
3.4 kB
4+4_3.9752.in
3.4 kB
4+4_3.9792.in
3.4 kB
4+4_3.98315.in
3.4 kB
4+4_3.98715.in
3.4 kB
4+4_3.99205.in
3.4 kB
4+4_4.0111.in
3.4 kB
4+4_4.03105.in
3.4 kB
4+4_4.051.in
3.4 kB
4+4_4.071.in
3.4 kB
4+4_4.09095.in
3.4 kB
4+4_4.1109.in
3.4 kB
4+4_4.13085.in
3.4 kB
4+4_4.1508.in
3.4 kB
4+4_4.17075.in
3.4 kB
pw-outputs
2+6_3.81155.out
160.2 kB
2+6_3.8315.out
100.5 kB
2+6_3.85145.out
96.4 kB
2+6_3.8714.out
102.1 kB
2+6_3.89135.out
220.9 kB
2+6_3.91135.out
103.9 kB
2+6_3.9153.out
104.3 kB
2+6_3.9193.out
104.7 kB
2+6_3.9233.out
103.0 kB
2+6_3.9273.out
104.4 kB
2+6_3.9313.out
104.9 kB
2+6_3.9353.out
100.3 kB
2+6_3.93925.out
98.5 kB
2+6_3.94325.out
97.3 kB
2+6_3.94725.out
98.1 kB
2+6_3.95125.out
96.8 kB
2+6_3.95525.out
97.3 kB
2+6_3.9592.out
97.3 kB
2+6_3.9632.out
160.3 kB
2+6_3.9672.out
97.3 kB
2+6_3.9712.out
98.1 kB
2+6_3.9752.out
97.7 kB
2+6_3.9792.out
98.5 kB
2+6_3.98315.out
97.3 kB
2+6_3.98715.out
98.9 kB
2+6_4.0111.out
97.3 kB
2+6_4.03105.out
97.3 kB
2+6_4.051.out
97.7 kB
2+6_4.071.out
97.3 kB
2+6_4.09095.out
97.3 kB
2+6_4.1109.out
96.8 kB
2+6_4.13085.out
96.8 kB
2+6_4.1508.out
96.8 kB
2+6_4.17075.out
96.8 kB
4+4_3.81155.out
220.5 kB
4+4_3.8315.out
100.9 kB
4+4_3.85145.out
101.3 kB
4+4_3.8714.out
101.7 kB
4+4_3.89135.out
104.7 kB
4+4_3.91135.out
103.0 kB
4+4_3.9153.out
161.6 kB
4+4_3.9193.out
213.0 kB
4+4_3.9233.out
214.2 kB
4+4_3.9273.out
106.4 kB
4+4_3.9313.out
93.8 kB
4+4_3.9353.out
94.3 kB
4+4_3.93925.out
104.3 kB
4+4_3.94325.out
217.6 kB
4+4_3.94725.out
92.6 kB
4+4_3.95125.out
92.6 kB
4+4_3.95525.out
92.5 kB
4+4_3.9592.out
151.5 kB
4+4_3.9632.out
93.0 kB
4+4_3.9672.out
93.4 kB
4+4_3.9712.out
93.0 kB
4+4_3.9752.out
212.2 kB
4+4_3.9792.out
152.8 kB
4+4_3.98315.out
152.7 kB
4+4_3.98715.out
152.3 kB
4+4_3.99205.out
272.5 kB
4+4_4.0111.out
92.1 kB
4+4_4.03105.out
92.1 kB
4+4_4.051.out
92.1 kB
4+4_4.071.out
151.9 kB
4+4_4.09095.out
151.9 kB
4+4_4.1109.out
151.9 kB
4+4_4.13085.out
91.7 kB
4+4_4.1508.out
91.7 kB
4+4_4.17075.out
91.7 kB
CaTiO3
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.83151.in
3.4 kB
2+6_3.85146.in
3.4 kB
2+6_3.87142.in
3.4 kB
2+6_3.89137.in
3.4 kB
2+6_3.91133.in
3.4 kB
2+6_3.93128.in
3.4 kB
2+6_3.95124.in
3.4 kB
2+6_3.9712.in
3.4 kB
2+6_4.01111.in
3.4 kB
2+6_4.03106.in
3.4 kB
2+6_4.05102.in
3.4 kB
2+6_4.07097.in
3.4 kB
2+6_4.09093.in
3.4 kB
2+6_4.11089.in
3.4 kB
2+6_4.13084.in
3.4 kB
2+6_4.1508.in
3.4 kB
2+6_4.17075.in
3.4 kB
4+4_3.80998.in
3.4 kB
4+4_3.82992.in
3.4 kB
4+4_3.84987.in
3.4 kB
4+4_3.86982.in
3.4 kB
4+4_3.88977.in
3.4 kB
4+4_3.90971.in
3.4 kB
4+4_3.92966.in
3.4 kB
4+4_3.94961.in
3.4 kB
4+4_3.96956.in
3.4 kB
4+4_4.00945.in
3.4 kB
4+4_4.0294.in
3.4 kB
4+4_4.04935.in
3.4 kB
4+4_4.06929.in
3.4 kB
4+4_4.08924.in
3.4 kB
4+4_4.10919.in
3.4 kB
4+4_4.12914.in
3.4 kB
4+4_4.14909.in
3.4 kB
4+4_4.16903.in
3.4 kB
pw-outputs
2+6_3.81155.out
990.1 kB
2+6_3.83151.out
978.3 kB
2+6_3.85146.out
985.0 kB
2+6_3.87142.out
1.0 MB
2+6_3.89137.out
1.1 MB
2+6_3.9.out
77.1 kB
2+6_3.905.out
79.0 kB
2+6_3.91.out
74.2 kB
2+6_3.91133.out
120.6 kB
2+6_3.915.out
74.2 kB
2+6_3.92.out
73.1 kB
2+6_3.925.out
74.6 kB
2+6_3.93.out
74.2 kB
2+6_3.93128.out
1.1 MB
2+6_3.935.out
74.2 kB
2+6_3.94.out
74.2 kB
2+6_3.945.out
73.1 kB
2+6_3.95.out
73.8 kB
2+6_3.95124.out
1.1 MB
2+6_3.96.out
73.4 kB
2+6_3.97.out
74.5 kB
2+6_3.9712.out
908.1 kB
2+6_3.98.out
73.0 kB
2+6_3.99.out
73.0 kB
2+6_4.01.out
73.0 kB
2+6_4.01111.out
1.1 MB
2+6_4.02.out
74.2 kB
2+6_4.03.out
72.8 kB
2+6_4.03106.out
1.1 MB
2+6_4.04.out
73.0 kB
2+6_4.05.out
73.1 kB
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633.2 kB
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4+4_4.16903.out
776.4 kB
PbTiO3
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.83151.in
3.4 kB
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pw-outputs
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927.2 kB
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1.0 MB
2+6_4.09093.out
1.2 MB
2+6_4.11089.out
1.2 MB
2+6_4.13084.out
1.2 MB
2+6_4.1508.out
1.2 MB
2+6_4.17075.out
1.3 MB
4+4_3.80998.out
547.5 kB
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601.9 kB
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763.4 kB
4+4_4.14909.out
699.4 kB
4+4_4.16903.out
701.3 kB
README.txt
546 Bytes
SrTiO3
.DS_Store
6.1 kB
pw-inputs
2+6_3.81155.in
3.4 kB
2+6_3.83151.in
3.4 kB
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pw-outputs
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1.1 MB
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1.1 MB
2+6_4.13084.out
1.1 MB
2+6_4.1508.out
1.1 MB
2+6_4.17075.out
1.2 MB
4+4_3.80998.out
492.8 kB
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503.4 kB
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