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Starting with our 2017 release, you can use the integrated graphical interface also to set up and visualize Quantum ESPRESSO plane wave calculations. The GUI will prompt you to download the binaries and pseudopotentials automatically when needed. In the Amsterdam Modeling Suite 2018 we ship Quantum ESPRESSO 6.3 binaries. AMS2022 uses Quantum ESPRESSO 7.0.
If the automatic download with the package manager does not work, e.g. because of firewall issues, you can also download the Windows, Mac OS and Linux Quantum ESPRESSO 7.0 binaries separately. Similarly, you can also download the pseudopotential library separately, which include the Quantum ESPRESSO pseudopotentials (6.2.1) and the pseudopotentials from Garrity, Bennet, Rabe and Vanderbilt (GBRV).
Download the QE release 7.0 from here and unzip the source code. From terminal, cd into the unzipped folder that contains the downloaded QE source code and create an empty folder (e.g. /build/). cd into this folder, configure via cmake with the options mpicc and mpif90, and compile. The commands are:
In the U.S., the espresso Display is sold chiefly through Amazon. It's made by an Australian startup that went through Kickstarter funding and has been shipping commercial product since March. In addition to the model reviewed here, the company offers a $299 version with a smaller 13.3-inch screen.
The heart of the espresso 15-inch is its 15.6-inch (measured diagonally) panel. Like nearly all portable displays we've tested, it combines in-plane switching (IPS) technology with full HD or 1080p (1,920-by-1,080-pixel) resolution. As is typical of IPS panels, the espresso offers broad viewing angles (rated at 178 degrees for both vertical and horizontal). With the screen looked at off-axis, colors remained accurate, unaffected even by the most extreme off-center angles.
When attached to my Dell XPS 13 laptop via a USB Type-C cable, the espresso responded to common touch gestures such as pinching, zooming, tapping, swiping, and scrolling. It can be used as a touch device with either a PC or Mac, but for the latter you'll need to download the espresso Touch Software ($39) utility. As mentioned, the espresso 15 does not come with a stylus; you can use a third-party pen or buy the company's optional battery-powered, aluminum-alloy Active Stylus.
The display's top and side bezels are ultra-thin, while the bottom bezel (adorned with the espresso logo) is more than an inch thick. The same goes for the black borders that fill the area between the bezel and the illuminated screen area. This gives the lower front of the monitor a spacious feel, the antithesis of the current trend towards "bezel-less" monitors. The downside is that it makes the monitor bulkier and gives it an asymmetrical feel when rotated into portrait mode.
On the left edge, you'll find a headphone jack and two buttons to raise or lower the speaker volume or the monitor's brightness, which is the full extent of the espresso 15's minimalist onscreen display (OSD). That said, I didn't find myself missing a more comprehensive OSD such as those found on the ViewSonic TD1655 and VG1655. As for the included speakers, their audio is soft and a bit tinny. (Their outlets are on the bottom edge of the panel.)
Out of the box, you can prop up the espresso 15, lay it flat, or set it in your lap while using it, but you'll presumably want to pair it with a stand. Espresso Displays offers three: the Flip Case ($49), the MountGo ($69), and the MountPro ($49). The company sent us both a Flip Case and a MountGo along with the monitor; keep in mind that they're extra-cost accessories not normally included.
The MountGo, meanwhile, is a compact, foldable aluminum stand designed in the same style as the espresso 15. It is lightweight and good for travel. The back of the monitor adheres magnetically to the stand. The MountGo's main flaw is that if you tilt it too much toward the vertical, it and the monitor are prone to topple. That said, you should soon be able to learn what its tilt limits are.
Also, we found it tricky to align the panel perfectly parallel to our desk when adhering it to the MountGo. The back of the espresso Display lacks a ridge or guide to line up with the edges of the stand's square magnetic surface. You'll have to eyeball it and adjust, or start with the bottom edge of the panel flat on the desktop (and thus parallel to it) and work it upward.
The espresso Display (15-inch) is an elegant, portable touch-screen monitor with great color accuracy. For all its virtues, though, some other portable touch panels offer more features at comparable or lower prices.
The Editors' Choice award-winning Asus ZenScreen Touch (MB16AMT), for instance, costs about the same as the espresso 15 but includes a stylus, a mini joystick controller on the enclosure, and a folding stand/case similar to the espresso's optional Flip Case. The ViewSonic TD1655, which sells for about $100 less, has a built-in fold-out stand, a stick controller similar to the ZenScreen's, and a stylus, as well as a robust OSD.
One thing that the espresso 15-inch has that these models lack is magnificent sRGB color coverage. The touch-screen portable monitor that comes closest is Lenovo's ThinkVision M14t, which comes with a stand and stylus and almost equals the espresso's sRGB coverage. It measures only 14 inches, however, and costs about $100 more than the espresso Display panel by itself. That makes the espresso a reasonable and elegant, if not overly budget-friendly, choice to show off to clients and colleagues.
In order to change between subdrivers use the driver setting. Setting its value to compose modifies driver behavior in the way it interacts with Compose elements rather that with classic Android views. It is possible to switch between espresso and compose modes at any point of time. When compose mode is active the the following webdriver commands behave differently (as of driver version 1.50.0):
Espresso server is in tight connection with the application under test. That is why it is important that the server uses the same versions of common dependencies and there are no conflicts. Espresso driver allows to configure several build options via espressoBuildConfig capability. The configuration JSON supports the following entries:
The extension returns a dictionary whose entries are the device properties. Check -espresso-driver/blob/master/espresso-server/app/src/androidTest/java/io/appium/espressoserver/lib/handlers/GetDeviceInfo.kt to get the full list of returned keys and their corresponding values.
Go to this link and download the package, or download it using the terminal by giving the following command.sudo apt-get install quantum-espresso (You can skip step 1 if you install it this way)
Or you can do it using the terminal by using the following command:tar -zxvf espresso-5.0.2.tar.gzNOTE: Make sure you write the correct file name and versionespresso-5.0.2.tar.gz. It will probably be different for you.
The input file is a really important file and you will need to learn quite a few things to be able to build one yourself.There are a lot of things that need explaining there, but I guess I will leave that for another post, and in this tutorial we will, just focus on running our first pw scf calculation. For the sake of the tutorial you can download the input file that I will be using from here or you can just copy the following and save it in a file called in.&controlprefix=''outdir='temp'pseudo_dir = '.',/&systemibrav= 2, celldm(1) =6.824, nat= 1, ntyp= 1,ecutwfc =30.0,occupations='smearing', smearing='mp', degauss=0.06/&electrons/ATOMIC_SPECIESCu 63.546 Cu.pbesol-dn-kjpaw_psl.0.2.UPFATOMIC_POSITIONSCu 0.00 0.00 0.00K_POINTS automatic8 8 8 0 0 0
Cluster users and HPC developers may be interested in manually editing theespresso_cpp_flags target in the top-level CMakeLists.txt file forfiner control over compiler flags. The variable declaration is followedby a series of conditionals to enable or disable compiler-specific flags.Compiler flags passed to CMake via the -D CMAKE_CXX_FLAGS option(such as cmake . -D CMAKE_CXX_FLAGS="-ffast-math -fno-finite-math-only")will appear in the compiler command before the flags in espresso_cpp_flags,and will therefore have lower precedence.
Several external features in ESPResSo rely onexternal libraries that are downloaded automatically by CMake. When anetwork connection cannot be established due to firewall restrictions,the CMake logic needs editing:
Install ESPResSo in the path specified by the CMake variableCMAKE_INSTALL_PREFIX. The path can be changed by calling CMakewith cmake .. -D CMAKE_INSTALL_PREFIX=/path/to/espresso. Do not usemake DESTDIR=/path/to/espresso install to install to a specific path,this will cause issues with the runtime path (RPATH) and will conflictwith the CMake variable CMAKE_INSTALL_PREFIX if it has been set.
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