本文在ubuntu linux下完成，使用的root用户，但建议读者另外设用户以减免因root用户误操作对系统的破坏。 root@ubuntu:~# cd espresso-4.3.2 root@ubuntu:~/espresso-4.3.2# cd examples root@ubuntu:~/espresso-4.3.2/examples# ./run_all_examples run_all_examples: starting /root/espresso-4.3.2/examples/example01 : starting This example shows how to use pw.x to calculate the total energy and the band structure of four simple systems: Si, Al, Cu, Ni. executables directory: /root/espresso-4.3.2/bin pseudo directory: /root/espresso-4.3.2/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /root/espresso-4.3.2/bin/pw.x running bands.x as: /root/espresso-4.3.2/bin/bands.x cleaning /root/tmp... done running the scf calculation for Si... done running the band-structure calculation for Si... done running the symmetry analysis for Si bands... done cleaning /root/tmp... done running the scf calculation for Al... done running the band-structure calculation for Al... done cleaning /root/tmp... done running the scf calculation for Cu... done running the band-structure calculation for Cu... done running the symmetry analysis for Cu bands... done cleaning /root/tmp... done running the scf calculation for Ni... done running the band-structure calculation for Ni... done cleaning /root/tmp... done running the scf calculation for Si... done running the band-structure calculation for Si... done cleaning /root/tmp... done running the scf calculation for Al... done running the band-structure calculation for Al... done cleaning /root/tmp... done running the scf calculation for Cu... done running the band-structure calculation for Cu... done cleaning /root/tmp... done running the scf calculation for Ni... done running the band-structure calculation for Ni... done /root/espresso-4.3.2/examples/example01 : done /root/espresso-4.3.2/examples/example02 : starting This example shows how to use pw.x and ph.x to calculate phonon frequencies at Gamma and X for Si and C in the diamond structure and for fcc-Ni. executables directory: /root/espresso-4.3.2/bin pseudo directory: /root/espresso-4.3.2/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /root/espresso-4.3.2/bin/pw.x running ph.x as: /root/espresso-4.3.2/bin/ph.x cleaning /root/tmp... done running the scf calculation for Si... done running the phonon calculation at Gamma for Si... done running the phonon calculation at X for Si... done running the scf calculation for Si again... done running the phonon calculation for Si at X for a single mode... done cleaning /root/tmp... done running the scf calculation for C... done running the phonon calculation for C at Gamma... done running the scf calculation for Ni... done running the phonon calculation at X for Ni... done cleaning /root/tmp... done /root/espresso-4.3.2/examples/example02: done /root/espresso-4.3.2/examples/example03 : starting This example shows how to use pw.x to compute the equilibrium geometry of a simple molecule, CO, and of an Al (001) slab. In the latter case the relaxation is performed in two ways: 1) using the quasi-Newton BFGS algorithm 2) using a damped dynamics algorithm. executables directory: /root/espresso-4.3.2/bin pseudo directory: /root/espresso-4.3.2/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /root/espresso-4.3.2/bin/pw.x cleaning /root/tmp... done running the geometry relaxation for CO... done cleaning /root/tmp... done running the geometry relaxation for Al (001) using BFGS... done cleaning /root/tmp... done running the geometry relaxation for Al (001) using damped MD... done /root/espresso-4.3.2/examples/example03: done 图示：EXAMPLE03程序执行情况 /root/espresso-4.3.2/examples/example04 : starting This example shows how to use pw.x to perform molecular dynamics for 2- and 8-atom cells of Si starting with compressed bonds along (111). executables directory: /root/espresso-4.3.2/bin pseudo directory: /root/espresso-4.3.2/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /root/espresso-4.3.2/bin/pw.x cleaning /root/tmp... done running the MD calculation for Si in a 2 atom cell. G-point... done cleaning /root/tmp... done running the MD calculation for Si in a 8 atom cell. G-point... done cleaning /root/tmp... done running the MD calculation for Si in a 2 atom cell. G3X-points... done /root/espresso-4.3.2/examples/example04: done /root/espresso-4.3.2/examples/example05 : starting This example shows how to use pw.x and postprocessing codes to make a contour plot in the plane of the charge density for Si, and to plot the band structure of Si. executables directory: /root/espresso-4.3.2/bin pseudo directory: /root/espresso-4.3.2/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /root/espresso-4.3.2/bin/pw.x running pp.x as: /root/espresso-4.3.2/bin/pp.x running plotrho.x as: /root/espresso-4.3.2/bin/plotrho.x running bands.x as: /root/espresso-4.3.2/bin/bands.x running plotband.x as: /root/espresso-4.3.2/bin/plotband.x cleaning /root/tmp... done running the scf calculation... done running pp.x to do a 2-d plot of the charge density... done running plotrho.x to generate rho.ps... done running the band-structure calculation for Si... done running the post-processing for band structure... done running plotband.x to generate sibands.ps... done /root/espresso-4.3.2/examples/example05: done …………………… …………………… …………………… ……………………
T-spice仿真时出现:count not run simulation,please check you dependencies. 只需在wintsp32.exe中设置菜单Option/Dependencis， 在弹出的对话框中设置为,TSPICE目录下的tsp71632.dll和winwed32.exe。
http://www.nytimes.com/2010/02/13/opinion/13herbert.html?em Op-Ed Columnist Watching China Run function getSharePasskey() { return 'ex=1423803600&en=f22c2b7bf78070a5&ei=5124';} function getShareURL() { return encodeURIComponent('http://www.nytimes.com/2010/02/13/opinion/13herbert.html'); } function getShareHeadline() { return encodeURIComponent('Watching China Run'); } function getShareDescription() { return encodeURIComponent('China has nothing comparable to the research, industrial and economic resources of the United States. Yet the Chinese are blowing us away in the race to the future.'); } function getShareKeywords() { return encodeURIComponent('United States Economy,Greenhouse Gas Emissions,Energy and Power,Alternative and Renewable Energy,United States,China'); } function getShareSection() { return encodeURIComponent('opinion'); } function getShareSectionDisplay() { return encodeURIComponent('Op-Ed Columnist'); } function getShareSubSection() { return encodeURIComponent(''); } function getShareByline() { return encodeURIComponent('By BOB HERBERT'); } function getSharePubdate() { return encodeURIComponent('February 13, 2010'); } By BOB HERBERT Published: February 13, 2010 It was primarily a symbolic gesture. Way back in 1979, in the midst of an energy crisis, Jimmy Carter had solar panels installed on the roof of the White House. They were used to heat water for some White House staffers. Skip to next paragraph Bob Herbert Go to Columnist Page Related Times Topics: Solar Energy | China Readers' Comments Readers shared their thoughts on this article. Read All Comments (240) A generation from now, said Mr. Carter, this solar heater can either be a curiosity, a museum piece, an example of a road not taken, or it can be a small part of one of the greatest and most exciting adventures ever undertaken by the American people, harnessing the power of the sun to enrich our lives as we move away from our crippling dependence on foreign oil. Ronald Reagan had the panels taken down. We missed the boat then, and lord knows were missing it now. Two weeks ago, as I was getting ready to take off for Palo Alto, Calif., to cover a conference on the importance of energy and infrastructure for the next American economy, The Timess Keith Bradsher was writing from Tianjin, China, about how the Chinese were sprinting past everybody else in the world, including the United States, in the race to develop clean energy. That we are allowing this to happen is beyond stupid. China is a poor country with nothing comparable to the tremendous research, industrial and economic resources that the U.S. has been blessed with. Yet theyre blowing us away at least for the moment in the race to the future. Our esteemed leaders in Washington cant figure out how to do anything more difficult than line up for a group photo. Put Americans back to work? You must be kidding. Health care? Weve been working on it for three-quarters of a century. Infrastructure? Dont ask. But, as Mr. Bradsher tells us, China vaulted past competitors in Denmark, Germany, Spain and the United States last year to become the worlds largest maker of wind turbines and is poised to expand even further this year. China also has become the worlds largest manufacturer of solar panels and is pushing hard on other clean energy advances. As Mr. Bradsher wrote: These efforts to dominate renewable energy technologies raise the prospect that the West may someday trade its dependence on oil from the Mideast for a reliance on solar panels, wind turbines and other gear manufactured in China. Were in the throes of an awful and seemingly endless employment crisis, and China is the country moving full speed ahead on the development of the worlds most important new industries. Id like one of the Washington suits to step away from the photo-op and explain the logic of that to me. The truth, of course, is that there is no reason at all for this to be happening. The United States, in many ways, is very well prepared to move ahead on clean energy. It could and should be the worlds leader. Many, if not most, of the innovations in this area were developed right here. But much of that know-how, as we are seeing in China (and have been seeing in Germany and other places), is being implemented overseas. The conference that I attended in Palo Alto spotlighted the need to move to a low-carbon economy in the U.S. and exemplified some of the resources available to make it happen. It was sponsored by the Brookings Institution and Lazard, the investment banking advisory firm. The participants included the leaders of and major investors in companies that are making great strides in the alternative energy industry. But much of their business is done overseas because right now in Americas wacky, dysfunctional public sector there is no clear vision of a viable clean-energy economy, and, thus, no clue about how to get there. The network of world-class universities and advanced research institutions in the U.S. is by far the most impressive in the world: think Harvard and Stanford and Berkeley and M.I.T. and on and on. If you add to that the venture capital community in the U.S. with its vast experience and the willingness of investors to take risks, and the sheer entrepreneurial talent of the American business community, you end up with an array of resources fully capable of moving the U.S. into a low-carbon, high-growth and extraordinarily productive economy that would be the envy of the world. But for that to happen as Bruce Katz, a Brookings executive who was one of the organizers of the conference, pointed out Americas corporate, civic and political leaders will have to articulate whats really at stake here. And whats at stake is the future of the American economy. The low-carbon era is coming. We can be dragged into that newer, greener world by leading countries like China; or we can take up the challenge and become the worlds leader ourselves. Sign in to Recommend Next Article in Opinion (2 of 28) A version of this article appeared in print on February 13, 2010, on page A23 of the New York edition.
标签: Run
