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Searched refs:n_onethird (Results 1 – 25 of 31) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/pseudopotential/paw_atom/
H A Dpaw_dirac_exchange.c41 double n_onethird; in paw_generate_exchange_pot_LDA() local
56 n_onethird = pow((3.0*n/PI),onethird); in paw_generate_exchange_pot_LDA()
58 ux_p = -(3.0/2.0)*alpha*n_onethird; in paw_generate_exchange_pot_LDA()
82 double n_onethird; in paw_get_exchange_energy_LDA() local
99 n_onethird = pow((3.0*n/PI),onethird); in paw_get_exchange_energy_LDA()
102 ex_p = -(9.0/8.0)*alpha*n_onethird; in paw_get_exchange_energy_LDA()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/pseudopotential/paw_atom/
H A Dpaw_dirac_exchange.c41 double n_onethird; in paw_generate_exchange_pot_LDA() local
56 n_onethird = pow((3.0*n/PI),onethird); in paw_generate_exchange_pot_LDA()
58 ux_p = -(3.0/2.0)*alpha*n_onethird; in paw_generate_exchange_pot_LDA()
82 double n_onethird; in paw_get_exchange_energy_LDA() local
99 n_onethird = pow((3.0*n/PI),onethird); in paw_get_exchange_energy_LDA()
102 ex_p = -(9.0/8.0)*alpha*n_onethird; in paw_get_exchange_energy_LDA()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dpbe96x.f45 real*8 kf,ks,s,P0,n_onethird,pi local
66 n_onethird = (3.0d0*n/pi)**onethird
67 ex_lda = -0.75d0*n_onethird
132 real*8 kf,ks,s,P0,n_onethird,pi local
147 n_onethird = (3.0d0*n/pi)**onethird
148 ex_lda = -0.75d0*n_onethird
H A Dpbesol.f108 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
171 n_onethird = (3.0d0*n/pi)**onethird
172 ex_lda = -0.75d0*n_onethird
191 n_onethird = (3.0d0*n/pi)**onethird
192 ex_lda = -0.75d0*n_onethird
453 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
477 n_onethird = (3.0d0*n/pi)**onethird
478 ex_lda = -0.75d0*n_onethird
H A Dpbe96.f112 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
175 n_onethird = (3.0d0*n/pi)**onethird
176 ex_lda = -0.75d0*n_onethird
195 n_onethird = (3.0d0*n/pi)**onethird
196 ex_lda = -0.75d0*n_onethird
458 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
482 n_onethird = (3.0d0*n/pi)**onethird
483 ex_lda = -0.75d0*n_onethird
H A Drevpbe.f113 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
176 n_onethird = (3.0d0*n/pi)**onethird
177 ex_lda = -0.75d0*n_onethird
196 n_onethird = (3.0d0*n/pi)**onethird
197 ex_lda = -0.75d0*n_onethird
460 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
484 n_onethird = (3.0d0*n/pi)**onethird
485 ex_lda = -0.75d0*n_onethird
H A Dbeef_gga.f126 real*8 kf,ks,s,n_onethird,pi,rs_scale local
193 n_onethird = (3.0d0*n/pi)**onethird
194 ex_lda = -0.75d0*n_onethird
250 n_onethird = (3.0d0*n/pi)**onethird
251 ex_lda = -0.75d0*n_onethird
582 real*8 kf,ks,s,n_onethird,pi,rs_scale local
610 n_onethird = (3.0d0*n/pi)**onethird
611 ex_lda = -0.75d0*n_onethird
H A Dhsepbe.F415 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale,nu local
440 n_onethird = (3.0d0*n/pi)**onethird
441 ex_lda = -0.75d0*n_onethird
636 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale local
700 n_onethird = (3.0d0*n/pi)**onethird
701 ex_lda = -0.75d0*n_onethird
725 n_onethird = (3.0d0*n/pi)**onethird
726 ex_lda = -0.75d0*n_onethird
H A Dpw92c.f85 real*8 n_onethird,pi,rs_scale
248 real*8 n_onethird,pi,rs_scale
H A Dm06-l.f43 real*8 n_onethird,kf,ks,ss,P0,FF,Fs,ex_lda,fdnx_const
245 n_onethird = (3.0d0*n/pi)**thrd
246 ex_lda = -0.75d0*n_onethird
448 real*8 n_onethird,kf,ks,ss,P0,FF,Fs,ex_lda,fdnx_const
659 n_onethird = (3.0d0*nup/pi)**thrd
660 ex_lda = -0.75d0*n_onethird
765 n_onethird = (3.0d0*ndn/pi)**thrd
766 ex_lda = -0.75d0*n_onethird
H A Dm06.f43 real*8 n_onethird,kf,ks,ss,P0,FF,Fs,ex_lda,fdnx_const local
245 n_onethird = (3.0d0*n/pi)**thrd
246 ex_lda = -0.75d0*n_onethird
448 real*8 n_onethird,kf,ks,ss,P0,FF,Fs,ex_lda,fdnx_const local
666 n_onethird = (3.0d0*nup/pi)**thrd
667 ex_lda = -0.75d0*n_onethird
772 n_onethird = (3.0d0*ndn/pi)**thrd
773 ex_lda = -0.75d0*n_onethird
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/pseudopotential/
H A Ddirac_exchange.c70 double n_onethird; local
96 n_onethird = pow((3.0*n/pi),onethird);
98 ex_p = -(9.0/8.0)*alpha*n_onethird;
99 ux_p = -(3.0/2.0)*alpha*n_onethird;
H A Dgga_exchange.c47 double n_onethird; local
94 n_onethird = pow((3.0*n/pi),onethird);
106 ex_p = -(3.0/4.0)*n_onethird*Fs;
107 ux_p = -(3.0/2.0)*alpha*n_onethird;
H A Dpbe_exchange.c44 double n_onethird; local
105 n_onethird = pow((3.0*n/pi),onethird);
118 ex_p = -(3.0/4.0)*n_onethird*F;
119 ux_p = -(3.0/4.0)*n_onethird*(
H A Drevpbe_exchange.c44 double n_onethird; local
106 n_onethird = pow((3.0*n/pi),onethird);
119 ex_p = -(3.0/4.0)*n_onethird*F;
120 ux_p = -(3.0/4.0)*n_onethird*(
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/pseudopotential/
H A Ddirac_exchange.c70 double n_onethird; local
96 n_onethird = pow((3.0*n/pi),onethird);
98 ex_p = -(9.0/8.0)*alpha*n_onethird;
99 ux_p = -(3.0/2.0)*alpha*n_onethird;
H A Dpbe_exchange.c44 double n_onethird; local
105 n_onethird = pow((3.0*n/pi),onethird);
118 ex_p = -(3.0/4.0)*n_onethird*F;
119 ux_p = -(3.0/4.0)*n_onethird*(
H A Dgga_exchange.c47 double n_onethird; local
94 n_onethird = pow((3.0*n/pi),onethird);
106 ex_p = -(3.0/4.0)*n_onethird*Fs;
107 ux_p = -(3.0/2.0)*alpha*n_onethird;
H A Drevpbe_exchange.c44 double n_onethird; local
106 n_onethird = pow((3.0*n/pi),onethird);
119 ex_p = -(3.0/4.0)*n_onethird*F;
120 ux_p = -(3.0/4.0)*n_onethird*(
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dpbesol.f108 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
171 n_onethird = (3.0d0*n/pi)**onethird
172 ex_lda = -0.75d0*n_onethird
191 n_onethird = (3.0d0*n/pi)**onethird
192 ex_lda = -0.75d0*n_onethird
453 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
477 n_onethird = (3.0d0*n/pi)**onethird
478 ex_lda = -0.75d0*n_onethird
H A Drevpbe.f113 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
181 n_onethird = n13*(3.0d0/pi)**onethird
182 ex_lda = -0.75d0*n_onethird
203 n_onethird = n13*(3.0d0/pi)**onethird
204 ex_lda = -0.75d0*n_onethird
459 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
483 n_onethird = (3.0d0*n/pi)**onethird
484 ex_lda = -0.75d0*n_onethird
H A Dpbe96.f112 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
175 n_onethird = (3.0d0*n/pi)**onethird
176 ex_lda = -0.75d0*n_onethird
195 n_onethird = (3.0d0*n/pi)**onethird
196 ex_lda = -0.75d0*n_onethird
458 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
482 n_onethird = (3.0d0*n/pi)**onethird
483 ex_lda = -0.75d0*n_onethird
H A Dbeef_gga.f126 real*8 kf,ks,s,n_onethird,pi,rs_scale
193 n_onethird = (3.0d0*n/pi)**onethird
194 ex_lda = -0.75d0*n_onethird
250 n_onethird = (3.0d0*n/pi)**onethird
251 ex_lda = -0.75d0*n_onethird
582 real*8 kf,ks,s,n_onethird,pi,rs_scale
610 n_onethird = (3.0d0*n/pi)**onethird
611 ex_lda = -0.75d0*n_onethird
H A Dhsepbe.F415 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale,nu
440 n_onethird = (3.0d0*n/pi)**onethird
441 ex_lda = -0.75d0*n_onethird
636 real*8 kf,ks,s,P0,n_onethird,pi,rs_scale
700 n_onethird = (3.0d0*n/pi)**onethird
701 ex_lda = -0.75d0*n_onethird
725 n_onethird = (3.0d0*n/pi)**onethird
726 ex_lda = -0.75d0*n_onethird
H A Dpw92c.f85 real*8 n_onethird,pi,rs_scale
248 real*8 n_onethird,pi,rs_scale

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