Searched defs:gen_PBEsol_BW_restricted (Results 1 – 2 of 2) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/ |
| H A D | pbesol.f | 412 real*8 GAMMA,BETA,BOG
420 real*8 A_1,A1_1,B1_1,B2_1,B3_1,B4_1
428 real*8 A_2,A1_2,B1_2,B2_2,B3_2,B4_2
436 real*8 A_3,A1_3,B1_3,B2_3,B3_3,B4_3
453 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
455 real*8 rs,rss,t,t2,t4,t6
456 real*8 Q0,Q1,Q2,Q3,Q4,Q5,Q8,Q9,B
458 real*8 B_ec,Hrs,H_B
459 real*8 F,Fs
463 real*8 ex,ec,H
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/ |
| H A D | pbesol.f | 387 subroutine gen_PBEsol_BW_restricted(n2ft3d,rho_in,agr_in, subroutine
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