Searched refs:dVAdRB (Results 1 – 1 of 1) sorted by relevance
| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | tsvdw.f90 | 1368 …REAL(DP) :: dk1,dptmp1,dptmp2,dptmp3,dptmp4,dptmp5,rhoA,rhoB,drhoA,drhoB,dVAdRA(3),dVAdRB(3),dVBdR… local
1613 dVAdRB(:)=predVAdRB(iq)*drhoB
1617 dVAdRB(:)=predVAdRB(iq)*drhoB*dqB(:)/dqBmic
1625 dveffdR(ia,ib,i)=dveffdR(ia,ib,i)+dVAdRB(i)
1637 dveffdh(ia,i,j)=dveffdh(ia,i,j)-dVAdRB(i)*dqBs(j)
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