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1. www.vasp.at › forum › viewtopicPressure in supercell != pressure in primitive cell - My ...

   www.vasp.at › forum › viewtopic

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   2 days ago · EDIFFG = -1.0e-3 #break condition for ionic relaxation #DOS-related ISMEAR = 0 #determines how the partial occupancies are set for each orbial SIGMA = 0.03 #default=0.2, RT=0.026 #Write flags LWAVE = F #Exchange correlation treatment GGA = PS #performance optimization NCORE = 8 #set to 1 for Hessians

2. aoterodelaroza.github.io › critic2 › examplesIntegration of Atomic Properties with Grids | Alberto’s repos

   aoterodelaroza.github.io › critic2 › examples

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   5 days ago · Using the LAECHG tag, it is possible to have VASP write the reconstructed valence density (AECCAR2) and the valence promolecular density (AECCAR1). (For the AECCAR1 to be written correctly, ADDGRID must not be .TRUE. .)

3. www.merckconnect.com › dificid › guidelinesIDSA/SHEA Guidelines for C. diff Infection - Merck Connect

   www.merckconnect.com › dificid › guidelines

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   4 days ago · Find professional resources and downloadable IDSA/SHEA and ACG guidelines for clostridioides difficile infection (CDI).

4. databases.fysik.dtu.dk › ase › _modulesase.io.vasp — ASE documentation - Guglen

   databases.fysik.dtu.dk › ase › _modules

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   3 days ago · Writes label, scalefactor, unitcell, # of various kinds of atoms, positions in cartesian or scaled coordinates (Direct), and constraints to file. Cartesian coordinates is default and default label is the atomic species, e.g. 'C N H Cu'.

5. pypi.org › project › lobsterpylobsterpy · PyPI

   pypi.org › project › lobsterpy

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   4 days ago · LobsterPy is a package that enables automatic analysis of LOBSTER outputs to get summarized bonding information and relevant bond plots. Additionally, one can also generate features for machine learning studies from LOBSTER outputs. One can download LOBSTER from http://www.cohp.de.

6. cryptoslate.com › taiwan-mobiles-vasp-license-bidTaiwan Mobile's VASP license bid aims to fuse digital assets ...

   cryptoslate.com › taiwan-mobiles-vasp-license-bid

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   3 days ago · Taiwan Mobile’s entry into the VASP sector is expected to introduce new crypto applications that integrate digital assets with mainstream services. This move marks a significant step in the company’s efforts to break into the crypto market.

7. People also ask

   What does aeccar2 mean in VASP?

   • This value is an indicator of the numerical error incurred by the grid integration. Using the LAECHG tag, it is possible to have VASP write the reconstructed valence density ( AECCAR2) and the valence promolecular density ( AECCAR1 ). (For the AECCAR1 to be written correctly, ADDGRID must not be .TRUE. .)

   Integration of Atomic Properties with Grids | Alberto’s repos

   aoterodelaroza.github.io/critic2/examples/example_11_01_simple-integration/

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   Does VASP support calc_quality_summary?

   • The only functionality limited to VASP is DOS comparisons and basis set analysis in the calc_quality_summary method of the Analysis class, as it relies on VASP output files, namely vasprun.xml and POTCAR. Please note that LobsterPy relies on the LOBSTER computation output files.

   lobsterpy · PyPI

   pypi.org/project/lobsterpy/

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   How to calculate Bader charges in VASP?

   • Use the core-augmented field to generate the atomic basins and the non-augmented field as the integrand: To calculate Bader charges in VASP, you need to run the SCF calculation in the usual way, but including the following tag in the INCAR file: LAECHG = .TRUE.

   Integration of Atomic Properties with Grids | Alberto’s repos

   aoterodelaroza.github.io/critic2/examples/example_11_01_simple-integration/

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   Where is Ag Ge in VASP?

   • "Ag Ge" in the same order as later in the file (and POTCAR# for the full vasp run). In the VASP 5.x format this information# is found on the fifth line.

   ase.io.vasp — ASE documentation - Guglen

   databases.fysik.dtu.dk/ase/_modules/ase/io/vasp.html

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8. cryptonews.com › news › nigerias-sec-mandates-vaspsNigeria's SEC Mandates VASPs to Establish Local Offices for ...

   cryptonews.com › news › nigerias-sec-mandates-vasps

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   4 days ago · Nigeria’s Securities and Exchange Commission (SEC) mandated on June 21 that all Virtual Asset Service Providers (VASPs), including cryptocurrency companies, establish offices in Nigeria as part of eligibility requirements under its Accelerated Regulatory Incubation Programme (ARIP).