Spuds 2

[Marcelo Chaplin]

Youcan easily integrate your 25Live calendar spuds into your website. In your 25Live account, you configure the spuds the way you want them. 25Live Publisher generates code, which you then paste into your web page to display the customized spud.

If you haven't published your calendar yet, go through the publishing settings, and then click OK. The Publishing Control Panel appears after you publish the calendar. More information about the publishing settings…

The default spud script provided in the Publishing Control Panel places the spud at the location where you paste the script.To improve page performance, especially when embedding promotion spuds on your home page, you can place the spud script at the end of the pageand edit the script to reference the location where the spud should be placed using the spudId parameter.This allows the spuds.js library to be loaded after the main portion of the page so visitors see other content more quickly.

Experience family-friendly fun with a day filled with the rhythmic beats of country music, the scent of sizzling spuds, and the warm embrace of Bath's hospitality. From live entertainment to family-fun activites, there is something for everyone to enjoy. Whether you're a fan of mashed, fried, or any other spud delight, our festival promises a treat for your taste buds.

For more information or to sponsor this event, please contact Jessica O'Donnell-Gower at jess...@lehighvalleychamber.org or Kylie Adams-Weiss at kyl...@lehighvalleychamber.org.

\nSponsorship information is now available. Click here to learn more!

To experience the deliciousness of this smashed fingerling potatoes side dish, you will only have to make it. This crushed and crusty potato recipe or spuds is simple to make, is awesome looking and absolutely delicious!

Every time I prepare them, I put some extra as I like to snatch a couple (at least) before they make it to the table ;-). Only because I cannot possibly control myself when I see them coming out of the oven. They are way too tempting.

With garlic: As I was saying these make a gorgeous side to any steak, roast or fried meat, but they can be fab with a deep like a houmous or any yoghurt deep. I personally like to drown them in garlic sauce poured just before having them on my plate as a raw garlic lover and yes, I'll have to deal with the breath issue after, haha.

With herbs: alternate the herbs between Italian mixed herbs and the ones that I normally buy contain sesame seeds (delicious), thyme, rosemary or simple oregano or fresh parley crushed with garlic. Oh!!

SPuDS - Structure Prediction Diagnostic Software

Instruction Manual (5 MB)

Download SPuDS GUI version 2.23.06.02 (compiled June 2, 2023). Installation instructions. Download, unzip, and execute the SPuDS-setup.exe file. If you receive an error message that 'Windows Defender SmartScreen prevented an unrecognized app from starting.', click more info, then Run anyway. The SPuDS executable does not have a code signing certificate, therefore some antivirus software (e.g. Sophos) may identify it as malware or PUP. The program checks as virus free, see VirusTotal virus check results. Choose the default "C:\Program Files (x86)\SPuDS\" or a directory of your choice. If log and txt files are not being updated in the default installation location, run SPuDS as an administrator or copy the entire SPuDS folder to a different location (e.g. C:\SPuDS\). See the installation notes for additional instructions.

Download SPuDS command line version 2.23.06.02 [DOS, command line] Instructions: Extract contents of zip file to a folder. Click start run then type 'cmd'. Change directories to folder (try folder names with less than 8 characters). Type 'spuds' to execute the program. The input.txt may be modified to suit the input requirements. Example input files are provided for each of the menus. Type 0 to read the input.txt file, then open the output.txt for the results.

Older version,(less error checking): 2.21.05.11 (compiled May 11, 2021) spudsdos2.21.05.11.zip

PySPuDS - a python wrapper to SPuDS enabling high-throughput perovskite structure predictions.

Pymatgen (Python Materials Genomics)

MaterialsProject.org

SPuDS writes CIF files for ABX3 and A2BB'X6 perovskites when the program is 'run as administrator'. The files are named output_spacegroup.cif and located in the SPuDS installation folder. You may need to copy the CIF files to a different folder first, then open in your preferred structure drawing program. These have been tested with Diamond and VESTA. If you encounter and issues with the CIF files, send an e-mail with the description and associated files and what software program you are using to read the CIF files.

SPuDS was written in FORTRAN 77 and compiled with Microsoft Visual Studio 2017 calling Salford F77 created DLLs using VBDLL. Additional compilation notes are on a FORTRAN page. The installer file was created with Inno Setup 6.2.2.

Bug reports, questions, comments and requests for additional features should be sent to:

Michael Lufaso (michael.lufaso[at]unf.edu) or Pat Woodward (woodward[at]chemistry.ohio-state.edu)

A paper detailing SPuDS calculation algorithm appears in Acta Cryst. B57 (2001). 725-738 (alternate download link) and a chapter in Structure and Bonding (2013).

Instructions

The software program SPuDS requires only the composition and oxidation state of each ion as its input. The software program executes the entire optimization procedure in approximately 2 seconds to 10 minutes on a modern CPU. The downloadable version of the software is compiled for use with the Microsoft Windows operating system.

Double click on SPuDS shortcut to execute the program. The SPuDS software has several calculation options.

Perovskite Structure Prediction

Menu Describes the formula of the A and B-site cations.

Tilt System Describes the type of octahedral tilting.

Formula Boxes for each of the cations and anion will appear. The ions must be selected before assigning temperature parameters or clicking Calculate. The temperature need not be used if the calculation temperature is 298 K (ambient).

Options See the manual for more details.

Calculate Click the calculate button that appears.

The results are written to the gii.txt which contains the Global Instability Index for each Glazer tilt system and output.txt which contains space group, latticeparameters, Wyckoff Positions, bond valence, tolerance factor and other information. The Shannon ionic radii tolerance factor is given, and in addition the tolerance factor is calculated by assuming the oxidationstate of the cation and calculating the ideal bond distance for the cation-anion pair. The ideal bond distances are substituted in the tolerance factor equation.

SPuDS optimizes perovskite structures for single B-site cations in Glazer tilt numbers 23, 22, 21, 20, 17, 16, 14, 10, 5, 3. SPuDS also has the ability to calculate variable temperature structures andstructures of ordered perovskites in Glazer tilt systems 23, 22, 20, 10, 3, and disordered B-site cation for tilt number 22 and 10, and Jahn-teller B-site cation for tilt number 10 (Pnma). If other tilt systems are desired, e-mail the authors.

Bond Valence Sum

Windows based software using modern bond valence parameters. Similar in function to the software programs KDist which reads CIF files and VALENCE. Select the atom pair and number of bond distances. Click display boxes. Fill in the boxes with the bond distances. Click Calculate Bond Valence Sum. The bond valence sum, in valence units, is displayed in the text box.

Applications of SPuDS

-Predicted structures can be used to estimate physical (magnetic, dielectric and other) properties of hypothetical compositions and those materials for which accurate structural data is not available.

-SPuDS can be used as a guide for exploratory synthetic efforts. It should be particularly useful for compounds with multiple cations on the A-site (e.g. CaCu3Ti4O12) and high-pressure synthesis, where access to experimental facilities is limited.

-Predicted structures can serve as the starting point for Rietveld refinements in the course of structurally characterizing new materials.

-Structure generated by SPuDS can be compared with experimentally determined structures in order to extract the effects of octahedral tilting distortions from other structural distortion mechanisms.

-Variable temperature (Beta version) calculations can be used to investigate the mechanisms of phase transitions and predict structures of novel materials which could undergo a phase transition(s).

Perovskite background

The perovskite structure has ABX3 stoichiometry and is composed of a three-dimensional framework of corner sharing BX6 octahedra. The A-site cation fills the twelve coordinate cavities formed by the BX3 network and is surrounded by twelve equidistant anions. The perovskite structure accommodates most of the metallic ions in the periodic table and a significant number of different anions. The majority of the perovskite compounds are oxides or fluorides, but the perovskite structure is also known for the heavier halides, sulfides, hydrides, cyanides , oxyfluorides and oxynitrides. The physical properties of perovskite materials are diverse, including ferroelectric, piezoelectric, superconducting and colossal magnetoresistive (CMR) properties.

The mineral perovskite, CaTiO3, does not adopt the cubic, but an orthorhombic structure (Pnma or Pbnm) by a cooperative tilting of the titanium centered octahedra. The distortion is driven by the mismatch between the size of the cubo-octahedral cavity in the corner sharing octahedral network and the ionic radius of the undersized Ca2+ ion. The octahedral tilting distortion lowers the coordination number of the A-site cation Ca2+ from 12 to 8. There is very little perturbation of the local octahedral coordination of the Ti4+ ion. The tolerance factor equation describes the fit of the A-cation in the corner sharing octahedra.

The presence and magnitude of an octahedral tilting distortion affects not only the crystal structure, but also has a profound influence on a number of physical properties, such as electrical conductivity, magnetic superexchange interactions, and certain dielectric properties. Ln0.7A0.3MnO3 perovskites undergo a transition from a paramagnetic insulating state to a ferromagnetic metallic state upon cooling. This coupled electronic/magnetic transition is of great interest due to the fact that the magnetoresistance reaches a maximum value as the temperature approaches this transition. Furthermore, it is known that the transition temperature can be tuned from 350 K to below 100 K by changing the magnitude of the octahedral tilting. This remarkable sensitivity to a relatively subtle structural distortion originates from the decrease in orbital overlap that occurs as the octahedral tilting distortion increases.

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