@inproceedings {310, title = {Parallelization benchmarks of plane wave self-consistent field calculations on an IBM BlueGene supercomputer}, booktitle = {Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress}, year = {2016}, month = {18{\textendash}21 Aug 2016}, pages = {SPP-2016-PB-19}, address = {University of the Philippines Visayas, Iloilo City}, abstract = {A plane wave self-consistent field calculation was parallelized over two node cards of an IBM BlueGene/P supercomputer. A maximum speedup of 9x was measured in Virtual Node execution mode. The observed performance improvements are consistent with Amdahl{\textquoteright}s law for an algorithm that is approximately 89\% parallelizable.}, author = {Paul Daniel S. Ang and Lean Louiel A Peria and Joshua Gregor A Dizon and Francis N. C. Paraan} } @inproceedings {331, title = {Piezomagnetic properties and band structure of Mn3GaN calculated using density functional theory}, booktitle = {Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress}, year = {2016}, month = {18{\textendash}21 Aug 2016}, pages = {SPP-2016-3A-06}, address = {University of the Philippines Visayas, Iloilo City}, abstract = {The antiperovskite Mn3GaN in the Γ-5g configuration has a noncollinear magnetic ordering and exhibits the piezomagnetic effect. This study aims to replicate previous ab initio studies of Mn3GaN. Magnetic moments are allowed to relax after applying various amounts of strain. Results show that the total magnetization varies linearly with strain up to {\textpm}2\%. The observed response of the magnetization was stronger for negative strain than for positive strain. Calculations reveal that this net magnetization arises from the strain-induced rotation of the local magnetic moments associated with each Mn atom. In addition, numerical calculations of the band structure and density of states of Mn3GaN are presented.}, author = {Lean Louiel A Peria and Paul Daniel S. Ang and Francis N. C. Paraan} }