<html><head><style>p{margin-top:0px;margin-bottom:0px;}</style></head><body><div style="font-size:14px; font-family:Gulim,굴림,sans-serif;"><span style="font-size: 14px; font-family: Gulim, 굴림, sans-serif;">Dear users,</span><div><br></div><div><span style="-webkit-font-smoothing: antialiased; -webkit-tap-highlight-color: transparent; margin: 0px; padding: 0px; color: rgb(0, 0, 0); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;">In order to reduce computational cost, I generated a Te pseudopotential with 5s2 5p4 valence using atomic code and conducted convergence test for FeTe.(I used Fe pseudopotential from pseudo-dojo)</span><br style="color: rgb(0, 0, 0); font-family: noto, notojp, notokr, Helvetica, "Microsoft YaHei", "Apple SD Gothic Neo", "Malgun Gothic", "맑은 고딕", Dotum, 돋움, sans-serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;"><span style="-webkit-font-smoothing: antialiased; -webkit-tap-highlight-color: transparent; margin: 0px; padding: 0px; color: rgb(0, 0, 0); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;">But as below, total energy tends to oscillating as ecut goes</span><span style="-webkit-font-smoothing: antialiased; -webkit-tap-highlight-color: transparent; margin: 0px; padding: 0px; color: rgb(0, 0, 0); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;"> </span><span style="-webkit-font-smoothing: antialiased; -webkit-tap-highlight-color: transparent; margin: 0px; padding: 0px; color: rgb(0, 0, 0); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;">up. </span><span style="border: 0px solid rgb(227, 227, 227); box-sizing: border-box; --tw-border-spacing-x: 0; --tw-border-spacing-y: 0; --tw-translate-x: 0; --tw-translate-y: 0; --tw-rotate: 0; --tw-skew-x: 0; --tw-skew-y: 0; --tw-scale-x: 1; --tw-scale-y: 1; --tw-pan-x: ; --tw-pan-y: ; --tw-pinch-zoom: ; --tw-scroll-snap-strictness: proximity; --tw-gradient-from-position: ; --tw-gradient-via-position: ; --tw-gradient-to-position: ; --tw-ordinal: ; --tw-slashed-zero: ; --tw-numeric-figure: ; --tw-numeric-spacing: ; --tw-numeric-fraction: ; --tw-ring-inset: ; --tw-ring-offset-width: 0px; --tw-ring-offset-color: #fff; --tw-ring-color: rgba(69,89,164,.5); --tw-ring-offset-shadow: 0 0 #0000; --tw-ring-shadow: 0 0 #0000; --tw-shadow: 0 0 #0000; --tw-shadow-colored: 0 0 #0000; --tw-blur: ; --tw-brightness: ; --tw-contrast: ; --tw-grayscale: ; --tw-hue-rotate: ; --tw-invert: ; --tw-saturate: ; --tw-sepia: ; --tw-drop-shadow: ; --tw-backdrop-blur: ; --tw-backdrop-brightness: ; --tw-backdrop-contrast: ; --tw-backdrop-grayscale: ; --tw-backdrop-hue-rotate: ; --tw-backdrop-invert: ; --tw-backdrop-opacity: ; --tw-backdrop-saturate: ; --tw-backdrop-sepia: ; --tw-contain-size: ; --tw-contain-layout: ; --tw-contain-paint: ; --tw-contain-style: ; scrollbar-color: var(--main-surface-tertiary) transparent; color: rgb(13, 13, 13); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: left; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;">Could this be an issue?</span></div><div><span style="-webkit-font-smoothing: antialiased; -webkit-tap-highlight-color: transparent; margin: 0px; padding: 0px; color: rgb(0, 0, 0); font-family: Gulim, 굴림, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(253, 253, 253); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial;">It shows the same pattern as alternating series convergence.</span></div><div><span style="background-color: rgb(253, 253, 253);"><br></span></div><div><span style="background-color: rgb(253, 253, 253);">ecut(Ry) total energy (Ry)</span></div><div><span>10 -466.85130800</span></div><div><span>20 -518.23729950</span></div><div><span>30 -537.49773545</span></div><div><span>40 -545.88252183</span></div><div><span>50 -549.27756332</span></div><div><span>60 -550.36699157</span></div><div><span>70 -550.62747228</span></div><div><span>80 -550.66652621</span></div><div><span>90 -550.66985572</span></div><div><span>100 -550.66970192</span></div><div><span>110 -550.66993898</span></div><div><span>120 -550.66982014</span></div><div><span>130 -550.66992940</span></div><div><span>140 -550.66993080</span></div><div><span>150 -550.66990365</span></div><div><span>160 -550.67000330</span></div><div><span>170 -550.66996727</span></div><div><span>180 -550.67002488</span></div><div><span>190 -550.67006554</span></div><div><span>200 -550.67002601</span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);"><br></span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);">Thank you</span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);"><br></span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);">Sincerely,</span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);">Gimyung Park</span></div><div style="font-variant-ligatures: normal; font-variant-caps: normal; letter-spacing: -0.5px; orphans: 2; text-indent: 0px; text-transform: none; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; white-space: normal; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; text-align: left;"><span style="font-size: 14px;font-style: normal;font-weight: 400;font-family: Gulim, 굴림, sans-serif;color: rgb(0, 0, 0);">Yonsei University</span></div><div class="exchanged_mail" style="display: block; 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