Searched refs:rsrho (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_pbe.F | 583 rsrho = -t4*t113*t115/0.12e2_dp
592 t138 = t127*rsrho/0.2e1_dp + beta_2_1*rsrho + 0.3e1_dp/ &
593 0.2e1_dp*t131*rsrho + t21*t19*rsrho*t135
596 e_c_u_0rho = -0.2e1_dp*t119*rsrho*t27 + t125*t140
677 t253 = alpha_1_1*rsrho
685 t267 = rsrho**2
888 rs2rho = rsrho
894 t664 = rsrho*rs2rho
897 t671 = t670*rsrho
906 t717 = rsrhorho*rsrho
[all …]
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| H A D | xc_tpss.F | 390 prho, rs, rs_s1, rs_s1rho, rs_s2, rs_s2rho, rsrho, t, t1, t100, t101, t111, t12, t13, & local
667 rsrho = -t4*t344/0.12e2_dp
669 e_c_u_0rho = -0.2e1_dp*A_1*alpha_1_1*rsrho*t152 + t138/ &
670 t351*(beta_1_1/t140*rsrho/0.2e1_dp + beta_2_1*rsrho + &
671 0.3e1_dp/0.2e1_dp*beta_3_1*t140*rsrho + t146*t41*rsrho/ &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_pbe.F | 583 rsrho = -t4*t113*t115/0.12e2_dp
592 t138 = t127*rsrho/0.2e1_dp + beta_2_1*rsrho + 0.3e1_dp/ &
593 0.2e1_dp*t131*rsrho + t21*t19*rsrho*t135
596 e_c_u_0rho = -0.2e1_dp*t119*rsrho*t27 + t125*t140
677 t253 = alpha_1_1*rsrho
685 t267 = rsrho**2
888 rs2rho = rsrho
894 t664 = rsrho*rs2rho
897 t671 = t670*rsrho
906 t717 = rsrhorho*rsrho
[all …]
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| H A D | xc_tpss.F | 390 prho, rs, rs_s1, rs_s1rho, rs_s2, rs_s2rho, rsrho, t, t1, t100, t101, t111, t12, t13, & local
667 rsrho = -t4*t344/0.12e2_dp
669 e_c_u_0rho = -0.2e1_dp*A_1*alpha_1_1*rsrho*t152 + t138/ &
670 t351*(beta_1_1/t140*rsrho/0.2e1_dp + beta_2_1*rsrho + &
671 0.3e1_dp/0.2e1_dp*beta_3_1*t140*rsrho + t146*t41*rsrho/ &
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