We use the computational science software "Vienna ab initio simulation package (abbreviation: VASP)" for performing first-principles quantum chemical calculations from the customer. […see next]
■This article was posted on March 2019, 3, so the information may be out of date.The electronic structure of a solid using the DFT method (density functional theory) on the Unipos website […see next] […see next]
■This article was posted on February 2019, 2, so the information may be out of date.X-ray absorption spectra such as XAFS, XANES etc. on the Unipos website […see next]
■ This is an article posted on May 2018, 5, so the information may be out of date.CRYS, a general-purpose program for research on crystalline solids, on the Unipos website […see next]
■ This article was posted on December 2013, 12, so the information content may be out of date. "Purchasing a machine that performs first-principles band calculations and calculations using the quantum Monte Carlo method […see next]
■ This article was posted on November 2012, 11, so the information may be out of date. "Available on FEFF7 and Wien9k at the University of Washington […see next]
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