<div dir="ltr">Dear Giuseppe,<div>thank you very much for your suggestion.</div><div>My main concerns were about different results obtained on the same system, which puzzles me.</div><div>Apparently my pw.x code is okay, since also the old one (4.3.2) gave similar strange results.</div><div>I used pbesol, therefore I guess (if I understood correctly) I should use this input:</div><div><br></div><div><span style="font-size:12.8000001907349px"> vdw_corr = 'xdm'</span></div><div><span style="font-size:12.8000001907349px"> xdm_a1 = 0.0000</span></div><div><span style="font-size:12.8000001907349px"> xdm_a2 = 4.1503</span></div><div><br></div><div><span style="font-size:12.8000001907349px">(from here: <a href="http://gatsby.ucmerced.edu/wiki/XDM">http://gatsby.ucmerced.edu/wiki/XDM</a>)</span></div><div><span style="font-size:12.8000001907349px"><br></span></div><div><span style="font-size:12.8000001907349px">I tried to add the spinorbit correction:</span></div><div><span style="font-size:12.8000001907349px"><br></span></div><div><div style><span style="font-size:12.8000001907349px"> noncolin = .true.</span><br></div><div style><span style="font-size:12.8000001907349px"> lspinorb = .true.</span></div><div style="font-size:12.8000001907349px"><br></div></div><div style="font-size:12.8000001907349px">but the code exit with</div><div style="font-size:12.8000001907349px"> <span style="font-size:12.8000001907349px"> Error in routine energy_xdm (1):</span></div><div style="font-size:12.8000001907349px"> nspin > 2 not implemented</div><div><br></div><div>So I run without noncolin and lspinorb. I got a much smaller cell:</div><div><br></div><div><div>nervi@chpc111 $ awk '/unit-cell/' ULOKUB_ecut50_opt.out</div><div> unit-cell volume = 1834.6689 (a.u.)^3</div><div> new unit-cell volume = 1910.72951 a.u.^3 ( 283.14090 Ang^3 )</div><div> new unit-cell volume = 1867.80516 a.u.^3 ( 276.78016 Ang^3 )</div><div> new unit-cell volume = 1912.87224 a.u.^3 ( 283.45842 Ang^3 )</div><div> new unit-cell volume = 1905.31656 a.u.^3 ( 282.33878 Ang^3 )</div><div> new unit-cell volume = 1886.36736 a.u.^3 ( 279.53080 Ang^3 )</div><div> new unit-cell volume = 1880.73733 a.u.^3 ( 278.69651 Ang^3 )</div><div> new unit-cell volume = 1870.99986 a.u.^3 ( 277.25357 Ang^3 )</div><div> new unit-cell volume = 1854.95166 a.u.^3 ( 274.87547 Ang^3 )</div><div> new unit-cell volume = 1829.04915 a.u.^3 ( 271.03712 Ang^3 )</div><div> new unit-cell volume = 1787.37430 a.u.^3 ( 264.86154 Ang^3 )</div><div> new unit-cell volume = 1774.46108 a.u.^3 ( 262.94800 Ang^3 )</div><div> new unit-cell volume = 1757.48022 a.u.^3 ( 260.43170 Ang^3 )</div><div> new unit-cell volume = 1753.91380 a.u.^3 ( 259.90321 Ang^3 )</div><div> new unit-cell volume = 1749.78707 a.u.^3 ( 259.29169 Ang^3 )</div><div> new unit-cell volume = 1743.65835 a.u.^3 ( 258.38351 Ang^3 )</div><div> new unit-cell volume = 1737.62588 a.u.^3 ( 257.48959 Ang^3 )</div><div> new unit-cell volume = 1731.23334 a.u.^3 ( 256.54231 Ang^3 )</div><div> new unit-cell volume = 1721.50143 a.u.^3 ( 255.10019 Ang^3 )</div><div> new unit-cell volume = 1707.28097 a.u.^3 ( 252.99293 Ang^3 )</div><div> new unit-cell volume = 1687.33224 a.u.^3 ( 250.03684 Ang^3 )</div><div> new unit-cell volume = 1686.78734 a.u.^3 ( 249.95609 Ang^3 )</div><div> new unit-cell volume = 1689.29156 a.u.^3 ( 250.32718 Ang^3 )</div><div> new unit-cell volume = 1687.08639 a.u.^3 ( 250.00041 Ang^3 )</div><div> new unit-cell volume = 1685.38842 a.u.^3 ( 249.74879 Ang^3 )</div><div> new unit-cell volume = 1685.38842 a.u.^3 ( 249.74879 Ang^3 )</div><div> unit-cell volume = 1685.3884 (a.u.)^3</div></div><div><br></div><div>I'm still playing trying to understand the system and its realibility.</div><div>Thanks,</div><div> Carlo</div><div><br></div><div><span style="font-size:12.8000001907349px"><br></span></div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-02-09 10:59 GMT+01:00 Giuseppe Mattioli <span dir="ltr"><<a href="mailto:giuseppe.mattioli@ism.cnr.it" target="_blank">giuseppe.mattioli@ism.cnr.it</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Dear Carlo<br>
Your *very exotic* crystal structure is going to be challenging for every code for several reasons. I suppose that, for example, you will never obtain<br>
decent lattice parameters without using a (good) contribution to dispersion forces. As you are using PAW PPs, I suggest to try the new XDM method. I<br>
can report excellent results for (metal-)organic crystals. You must supply to the code the appropriate parameters, which in the case of PBE are<br>
<br>
vdw_corr='xdm',<br>
xdm_a1=0.3275, xdm_a2=2.7673,<br>
<br>
It should probably not affect the structural properties very much, but you may try to check if the Iodine atoms benefit of some spin-orbit coupling<br>
treatment.<br>
<br>
The cell is small, and even if your bands should be not far from flat, you may experience some strong interaction between localized states at gamma.<br>
You can try to use a shifted k-points mesh (e.g., 2, 2, 2, 1, 1, 1) in scf calculations, and to reintroduce gamma in nscf ones if you need a DOS plot.<br>
<br>
HTH<br>
Giuseppe<br>
<div><div class="h5"><br>
On Sunday, February 08, 2015 12:10:25 AM Carlo Nervi wrote:<br>
> Good point. I tried also with Castep 7.0 (same pbesol but onthe fly pseudo)<br>
> and it cannot reach convergence. Just increase and eat RAM without reaching<br>
> any convergence.<br>
> Anyway, I run also the same two inputs also on the 4.3.2 version and the<br>
> results are almost the same. Below I report them for comparison.<br>
> I'm confused....<br>
><br>
> pw.x 5.1.1: ecut60_kp222_opt.out<br>
> pw.x 4.3.2: ecut60_kp222_opt_pw432.out<br>
> [ 1] unit-cell volume = 1834.6689 (a.u.)^3<br>
> [ 1] = 1834.6689 (a.u.)^3<br>
> [ 2] new unit-cell volume = 1916.92975 a.u.^3 ( 284.05968 Ang^3 ) [<br>
> 2] 1916.89038 a.u.^3 ( 284.05384 Ang^3 )<br>
> [ 3] new unit-cell volume = 1870.67155 a.u.^3 ( 277.20492 Ang^3 ) [<br>
> 3] 1870.65414 a.u.^3 ( 277.20234 Ang^3 )<br>
> [ 4] new unit-cell volume = 1921.05067 a.u.^3 ( 284.67033 Ang^3 ) [<br>
> 4] 1921.02565 a.u.^3 ( 284.66663 Ang^3 )<br>
> [ 5] new unit-cell volume = 1916.96334 a.u.^3 ( 284.06466 Ang^3 ) [<br>
> 5] 1916.80696 a.u.^3 ( 284.04148 Ang^3 )<br>
> [ 6] new unit-cell volume = 1901.29925 a.u.^3 ( 281.74348 Ang^3 ) [<br>
> 6] 1900.95704 a.u.^3 ( 281.69277 Ang^3 )<br>
> [ 7] new unit-cell volume = 1901.18545 a.u.^3 ( 281.72661 Ang^3 ) [<br>
> 7] 1901.00790 a.u.^3 ( 281.70030 Ang^3 )<br>
> [ 8] new unit-cell volume = 1900.12506 a.u.^3 ( 281.56948 Ang^3 ) [<br>
> 8] 1899.99088 a.u.^3 ( 281.54960 Ang^3 )<br>
> [ 9] new unit-cell volume = 1896.90561 a.u.^3 ( 281.09241 Ang^3 ) [<br>
> 9] 1896.77471 a.u.^3 ( 281.07301 Ang^3 )<br>
> [10] new unit-cell volume = 1890.33791 a.u.^3 ( 280.11917 Ang^3 )<br>
> [10] 1890.25923 a.u.^3 ( 280.10751 Ang^3 )<br>
> [11] new unit-cell volume = 1881.89664 a.u.^3 ( 278.86831 Ang^3 )<br>
> [11] 1882.03626 a.u.^3 ( 278.88900 Ang^3 )<br>
> [12] new unit-cell volume = 1873.99541 a.u.^3 ( 277.69747 Ang^3 )<br>
> [12] 1873.51712 a.u.^3 ( 277.62659 Ang^3 )<br>
> [13] new unit-cell volume = 1865.86498 a.u.^3 ( 276.49266 Ang^3 )<br>
> [13] 1866.51615 a.u.^3 ( 276.58915 Ang^3 )<br>
> [14] new unit-cell volume = 1864.19811 a.u.^3 ( 276.24566 Ang^3 )<br>
> [14] 1863.95891 a.u.^3 ( 276.21021 Ang^3 )<br>
> [15] new unit-cell volume = 1864.57674 a.u.^3 ( 276.30176 Ang^3 )<br>
> [15] 1864.53369 a.u.^3 ( 276.29538 Ang^3 )<br>
> [16] new unit-cell volume = 1865.55777 a.u.^3 ( 276.44714 Ang^3 )<br>
> [16] 1865.49744 a.u.^3 ( 276.43820 Ang^3 )<br>
> [17] new unit-cell volume = 1866.79207 a.u.^3 ( 276.63004 Ang^3 )<br>
> [17] 1866.65432 a.u.^3 ( 276.60963 Ang^3 )<br>
> [18] new unit-cell volume = 1869.30622 a.u.^3 ( 277.00260 Ang^3 )<br>
> [18] 1869.10349 a.u.^3 ( 276.97256 Ang^3 )<br>
> [19] new unit-cell volume = 1873.20777 a.u.^3 ( 277.58075 Ang^3 )<br>
> [19] 1872.78516 a.u.^3 ( 277.51813 Ang^3 )<br>
> [20] new unit-cell volume = 1879.19014 a.u.^3 ( 278.46724 Ang^3 )<br>
> [20] 1878.36245 a.u.^3 ( 278.34459 Ang^3 )<br>
> [21] new unit-cell volume = 1884.66187 a.u.^3 ( 279.27807 Ang^3 )<br>
> [21] 1883.96194 a.u.^3 ( 279.17435 Ang^3 )<br>
> [22] new unit-cell volume = 1891.20864 a.u.^3 ( 280.24820 Ang^3 )<br>
> [22] 1889.86635 a.u.^3 ( 280.04930 Ang^3 )<br>
> [23] new unit-cell volume = 1901.10293 a.u.^3 ( 281.71439 Ang^3 )<br>
> [23] 1898.71267 a.u.^3 ( 281.36018 Ang^3 )<br>
> [24] new unit-cell volume = 1914.72645 a.u.^3 ( 283.73318 Ang^3 )<br>
> [24] 1912.22947 a.u.^3 ( 283.36317 Ang^3 )<br>
> [25] new unit-cell volume = 1930.25095 a.u.^3 ( 286.03368 Ang^3 )<br>
> [25] 1924.28177 a.u.^3 ( 285.14914 Ang^3 )<br>
> [26] new unit-cell volume = 1937.73275 a.u.^3 ( 287.14236 Ang^3 )<br>
> [26] 1937.63927 a.u.^3 ( 287.12851 Ang^3 )<br>
> [27] new unit-cell volume = 1941.73622 a.u.^3 ( 287.73562 Ang^3 )<br>
> [27] 1941.66666 a.u.^3 ( 287.72531 Ang^3 )<br>
> [28] new unit-cell volume = 1944.88562 a.u.^3 ( 288.20231 Ang^3 )<br>
> [28] 1943.48926 a.u.^3 ( 287.99539 Ang^3 )<br>
> [29] new unit-cell volume = 1949.01818 a.u.^3 ( 288.81469 Ang^3 )<br>
> [29] 1945.65177 a.u.^3 ( 288.31584 Ang^3 )<br>
> [30] new unit-cell volume = 1953.99704 a.u.^3 ( 289.55248 Ang^3 )<br>
> [30] 1950.94524 a.u.^3 ( 289.10025 Ang^3 )<br>
> [31] new unit-cell volume = 1962.17319 a.u.^3 ( 290.76406 Ang^3 )<br>
> [31] 1958.81209 a.u.^3 ( 290.26600 Ang^3 )<br>
> [32] new unit-cell volume = 1974.45089 a.u.^3 ( 292.58343 Ang^3 )<br>
> [32] 1970.67480 a.u.^3 ( 292.02387 Ang^3 )<br>
> [33] new unit-cell volume = 1992.92859 a.u.^3 ( 295.32154 Ang^3 )<br>
> [33] 1988.56058 a.u.^3 ( 294.67427 Ang^3 )<br>
> [34] new unit-cell volume = 2020.13868 a.u.^3 ( 299.35366 Ang^3 )<br>
> [34] 2015.10118 a.u.^3 ( 298.60718 Ang^3 )<br>
> [35] new unit-cell volume = 2032.08995 a.u.^3 ( 301.12466 Ang^3 )<br>
> [35] 2026.74222 a.u.^3 ( 300.33221 Ang^3 )<br>
> [36] new unit-cell volume = 2049.78113 a.u.^3 ( 303.74622 Ang^3 )<br>
> [36] 2043.98629 a.u.^3 ( 302.88751 Ang^3 )<br>
> [37] new unit-cell volume = 2076.66366 a.u.^3 ( 307.72980 Ang^3 )<br>
> [37] 2069.87449 a.u.^3 ( 306.72375 Ang^3 )<br>
> [38] new unit-cell volume = 2100.27547 a.u.^3 ( 311.22871 Ang^3 )<br>
> [38] 2108.37862 a.u.^3 ( 312.42947 Ang^3 )<br>
> [39] new unit-cell volume = 2098.38435 a.u.^3 ( 310.94848 Ang^3 )<br>
> [39] 2103.73265 a.u.^3 ( 311.74101 Ang^3 )<br>
> [40] new unit-cell volume = 2096.76071 a.u.^3 ( 310.70788 Ang^3 )<br>
> [40] 2103.09452 a.u.^3 ( 311.64645 Ang^3 )<br>
> [41] new unit-cell volume = 2093.53470 a.u.^3 ( 310.22983 Ang^3 )<br>
> [41] 2105.36802 a.u.^3 ( 311.98335 Ang^3 )<br>
> [42] new unit-cell volume = 2090.92157 a.u.^3 ( 309.84261 Ang^3 )<br>
> [42] 2109.06268 a.u.^3 ( 312.53084 Ang^3 )<br>
> [43] new unit-cell volume = 2088.04282 a.u.^3 ( 309.41602 Ang^3 )<br>
> [43] 2114.58893 a.u.^3 ( 313.34975 Ang^3 )<br>
> [44] new unit-cell volume = 2087.37088 a.u.^3 ( 309.31645 Ang^3 )<br>
> [44] 2123.60310 a.u.^3 ( 314.68551 Ang^3 )<br>
> [45] new unit-cell volume = 2089.06128 a.u.^3 ( 309.56694 Ang^3 )<br>
> [45] 2137.26799 a.u.^3 ( 316.71044 Ang^3 )<br>
> [46] new unit-cell volume = 2092.69424 a.u.^3 ( 310.10529 Ang^3 )<br>
> [46] 2132.82626 a.u.^3 ( 316.05224 Ang^3 )<br>
> [47] new unit-cell volume = 2098.38075 a.u.^3 ( 310.94794 Ang^3 )<br>
> [47] 2127.74869 a.u.^3 ( 315.29982 Ang^3 )<br>
> [48] new unit-cell volume = 2104.49475 a.u.^3 ( 311.85394 Ang^3 )<br>
> [48] 2124.00032 a.u.^3 ( 314.74437 Ang^3 )<br>
> [49] new unit-cell volume = 2100.70529 a.u.^3 ( 311.29240 Ang^3 )<br>
> [49] 2117.12346 a.u.^3 ( 313.72532 Ang^3 )<br>
> [50] new unit-cell volume = 2083.40173 a.u.^3 ( 308.72828 Ang^3 )<br>
> [50] 2105.73130 a.u.^3 ( 312.03718 Ang^3 )<br>
> [51] new unit-cell volume = 2077.05453 a.u.^3 ( 307.78772 Ang^3 )<br>
> [51] 2088.74510 a.u.^3 ( 309.52009 Ang^3 )<br>
> [52] new unit-cell volume = 2070.02859 a.u.^3 ( 306.74659 Ang^3 )<br>
> [52] 2088.85865 a.u.^3 ( 309.53691 Ang^3 )<br>
> [53] new unit-cell volume = 2066.04858 a.u.^3 ( 306.15681 Ang^3 )<br>
> [53] 2088.20078 a.u.^3 ( 309.43943 Ang^3 )<br>
> [54] new unit-cell volume = 2061.21037 a.u.^3 ( 305.43986 Ang^3 )<br>
> [54] 2085.25660 a.u.^3 ( 309.00314 Ang^3 )<br>
> [55] new unit-cell volume = 2058.58741 a.u.^3 ( 305.05118 Ang^3 )<br>
> [55] 2080.16617 a.u.^3 ( 308.24882 Ang^3 )<br>
> [56] new unit-cell volume = 2054.42953 a.u.^3 ( 304.43504 Ang^3 )<br>
> [56] 2074.14518 a.u.^3 ( 307.35660 Ang^3 )<br>
> [57] new unit-cell volume = 2054.24848 a.u.^3 ( 304.40821 Ang^3 )<br>
> [57] 2064.48193 a.u.^3 ( 305.92466 Ang^3 )<br>
> [58] new unit-cell volume = 2053.77333 a.u.^3 ( 304.33780 Ang^3 )<br>
> [58] 2051.00842 a.u.^3 ( 303.92809 Ang^3 )<br>
> [59] new unit-cell volume = 2054.07492 a.u.^3 ( 304.38250 Ang^3 )<br>
> [59] 2041.14648 a.u.^3 ( 302.46670 Ang^3 )<br>
> [60] new unit-cell volume = 2058.59233 a.u.^3 ( 305.05191 Ang^3 )<br>
> [60] 2038.54028 a.u.^3 ( 302.08050 Ang^3 )<br>
> [61] new unit-cell volume = 2058.36374 a.u.^3 ( 305.01803 Ang^3 )<br>
> [61] 2040.74343 a.u.^3 ( 302.40697 Ang^3 )<br>
> [62] new unit-cell volume = 2058.36374 a.u.^3 ( 305.01803 Ang^3 )<br>
> [62] 2045.70626 a.u.^3 ( 303.14239 Ang^3 )<br>
> [63] unit-cell volume = 2058.3637 (a.u.)^3<br>
> [63] 2045.70626 a.u.^3 ( 303.14239 Ang^3 )<br>
><br>
> [64] = 2045.7063 (a.u.)^3<br>
><br>
><br>
><br>
> And also:<br>
><br>
> pw.x 5.1.1<br>
> pw.x 4.3.2<br>
> [ 1] unit-cell volume = 1960.1695 (a.u.)^3<br>
> [ 1] = 1960.1695 (a.u.)^3<br>
> [ 2] new unit-cell volume = 1959.31994 a.u.^3 ( 290.34126 Ang^3 ) [<br>
> 2] 1959.25962 a.u.^3 ( 290.33232 Ang^3 )<br>
> [ 3] new unit-cell volume = 1958.53703 a.u.^3 ( 290.22524 Ang^3 ) [<br>
> 3] 1958.24276 a.u.^3 ( 290.18164 Ang^3 )<br>
> [ 4] new unit-cell volume = 1957.26194 a.u.^3 ( 290.03629 Ang^3 ) [<br>
> 4] 1956.83874 a.u.^3 ( 289.97358 Ang^3 )<br>
> [ 5] new unit-cell volume = 1955.57715 a.u.^3 ( 289.78663 Ang^3 ) [<br>
> 5] 1954.97243 a.u.^3 ( 289.69702 Ang^3 )<br>
> [ 6] new unit-cell volume = 1953.25606 a.u.^3 ( 289.44268 Ang^3 ) [<br>
> 6] 1952.34070 a.u.^3 ( 289.30704 Ang^3 )<br>
> [ 7] new unit-cell volume = 1949.69460 a.u.^3 ( 288.91493 Ang^3 ) [<br>
> 7] 1949.10416 a.u.^3 ( 288.82743 Ang^3 )<br>
> [ 8] new unit-cell volume = 1947.54165 a.u.^3 ( 288.59589 Ang^3 ) [<br>
> 8] 1945.65216 a.u.^3 ( 288.31590 Ang^3 )<br>
> [ 9] new unit-cell volume = 1944.65689 a.u.^3 ( 288.16842 Ang^3 ) [<br>
> 9] 1941.13802 a.u.^3 ( 287.64697 Ang^3 )<br>
> [10] new unit-cell volume = 1940.96635 a.u.^3 ( 287.62153 Ang^3 )<br>
> [10] 1939.06064 a.u.^3 ( 287.33914 Ang^3 )<br>
> [11] new unit-cell volume = 1939.90715 a.u.^3 ( 287.46458 Ang^3 )<br>
> [11] 1938.65781 a.u.^3 ( 287.27944 Ang^3 )<br>
> [12] new unit-cell volume = 1939.26844 a.u.^3 ( 287.36993 Ang^3 )<br>
> [12] 1938.21336 a.u.^3 ( 287.21358 Ang^3 )<br>
> [13] new unit-cell volume = 1937.86399 a.u.^3 ( 287.16181 Ang^3 )<br>
> [13] 1936.17781 a.u.^3 ( 286.91195 Ang^3 )<br>
> [14] new unit-cell volume = 1936.35258 a.u.^3 ( 286.93784 Ang^3 )<br>
> [14] 1934.16215 a.u.^3 ( 286.61326 Ang^3 )<br>
> [15] new unit-cell volume = 1934.47381 a.u.^3 ( 286.65944 Ang^3 )<br>
> [15] 1932.10493 a.u.^3 ( 286.30841 Ang^3 )<br>
> [16] new unit-cell volume = 1932.63674 a.u.^3 ( 286.38721 Ang^3 )<br>
> [16] 1930.22378 a.u.^3 ( 286.02965 Ang^3 )<br>
> [17] new unit-cell volume = 1930.23334 a.u.^3 ( 286.03107 Ang^3 )<br>
> [17] 1927.83544 a.u.^3 ( 285.67574 Ang^3 )<br>
> [18] new unit-cell volume = 1926.68480 a.u.^3 ( 285.50523 Ang^3 )<br>
> [18] 1924.38618 a.u.^3 ( 285.16461 Ang^3 )<br>
> [19] new unit-cell volume = 1922.08253 a.u.^3 ( 284.82324 Ang^3 )<br>
> [19] 1920.03850 a.u.^3 ( 284.52035 Ang^3 )<br>
> [20] new unit-cell volume = 1918.60656 a.u.^3 ( 284.30816 Ang^3 )<br>
> [20] 1918.67621 a.u.^3 ( 284.31848 Ang^3 )<br>
> [21] new unit-cell volume = 1917.76107 a.u.^3 ( 284.18287 Ang^3 )<br>
> [21] 1917.87993 a.u.^3 ( 284.20048 Ang^3 )<br>
> [22] new unit-cell volume = 1917.99827 a.u.^3 ( 284.21802 Ang^3 )<br>
> [22] 1918.22644 a.u.^3 ( 284.25183 Ang^3 )<br>
> [23] new unit-cell volume = 1917.99827 a.u.^3 ( 284.21802 Ang^3 )<br>
> [23] 1918.22644 a.u.^3 ( 284.25183 Ang^3 )<br>
> [24] unit-cell volume = 1917.9983 (a.u.)^3<br>
> [24] = 1918.2264 (a.u.)^3<br>
><br>
> ------------------------------------------------------------<br>
> Prof. Carlo Nervi <a href="mailto:carlo.nervi@unito.it">carlo.nervi@unito.it</a> Tel:<a href="tel:%2B39%200116707507%2F8" value="+3901167075078">+39 0116707507/8</a><br>
> Fax: <a href="tel:%2B39%200116707855" value="+390116707855">+39 0116707855</a> - Dipartimento di Chimica, via<br>
> P. Giuria 7, 10125 Torino, Italy. <a href="http://lem.ch.unito.it/" target="_blank">http://lem.ch.unito.it/</a><br>
<br>
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Giuseppe Mattioli<br>
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E-mail: <<a href="mailto:giuseppe.mattioli@ism.cnr.it">giuseppe.mattioli@ism.cnr.it</a>><br>
<a href="http://www.ism.cnr.it/english/staff/mattiolig" target="_blank">http://www.ism.cnr.it/english/staff/mattiolig</a><br>
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