user: 请显示与下面列出的汇编代码相匹配的C语言实现:

```asm
<solve_Troullier>:
  endbr64
  push   %rbp
  mov    %rsp,%rbp
  push   %r15
  push   %r14
  push   %r13
  push   %r12
  push   %rbx
  sub    $0x1a8,%rsp
  mov    %edi,-0xe4(%rbp)
  mov    %rsi,-0x128(%rbp)
  mov    %rdx,-0x168(%rbp)
  mov    %rcx,-0xa0(%rbp)
  mov    %r8,%r12
  mov    %r8,%r13
  mov    %r9,-0xe0(%rbp)
  mov    0x10(%rbp),%rax
  mov    %rax,-0x110(%rbp)
  mov    0x18(%rbp),%rax
  mov    %rax,-0x118(%rbp)
  mov    0x20(%rbp),%r14
  mov    %r14,-0x140(%rbp)
  mov    0x28(%rbp),%rax
  mov    %rax,-0x1b0(%rbp)
  mov    0x30(%rbp),%rax
  mov    %rax,-0xb0(%rbp)
  mov    0x38(%rbp),%rax
  mov    %rax,-0x178(%rbp)
  mov    0x40(%rbp),%rax
  mov    %rax,-0x180(%rbp)
  mov    0x48(%rbp),%rax
  mov    %rax,-0x188(%rbp)
  mov    0x50(%rbp),%rax
  mov    %rax,-0x190(%rbp)
  mov    0x58(%rbp),%rax
  mov    %rax,-0x198(%rbp)
  mov    0x60(%rbp),%rax
  mov    %rax,-0x1a0(%rbp)
  mov    0x68(%rbp),%rax
  mov    %rax,-0x1a8(%rbp)
  mov    0x70(%rbp),%rax
  mov    %rax,-0x1b8(%rbp)
  mov    0x78(%rbp),%rax
  mov    %rax,-0x1c0(%rbp)
  mov    0x80(%rbp),%rax
  mov    %rax,-0x1c8(%rbp)
  mov    %fs:0x28,%rax
  mov    %rax,-0x38(%rbp)
  xor    %eax,%eax
  call   <Vall_Atom@plt>
  cltq
  mov    %rax,-0x108(%rbp)
  mov    $0x0,%eax
  call   <r_LogGrid@plt>
  mov    %eax,%ebx
  cltq
  mov    %rax,-0xd0(%rbp)
  mov    $0x0,%eax
  call   <N_LogGrid@plt>
  mov    %eax,%r15d
  mov    %eax,-0xb8(%rbp)
  mov    $0x0,%eax
  call   <log_amesh_LogGrid@plt>
  pxor   %xmm4,%xmm4
  cvtsi2sd %eax,%xmm4
  movsd  %xmm4,-0xd8(%rbp)
  mov    $0x0,%eax
  call   <amesh_LogGrid@plt>
  test   %r15d,%r15d
  jle    L341
  mov    %r14,%rax
  lea    -0x1(%r15),%edx
  lea    0x8(%r14,%rdx,8),%rdx
  mov    %r12,%rsi
L523:
  movq   $0x0,(%rax)
  add    $0x8,%rax
  cmp    %rdx,%rax
  jne    L523
  mov    %rsi,%r13
L341:
  mov    $0x0,%eax
  call   <debug_print@plt>
  test   %eax,%eax
  jne    L396
L538:
  mov    -0xe4(%rbp),%eax
  test   %eax,%eax
  jle    L476
  mov    %r13,-0xc0(%rbp)
  mov    -0x168(%rbp),%rdx
  mov    %rdx,-0x80(%rbp)
  mov    %eax,%eax
  mov    %rax,-0x120(%rbp)
  mov    -0xb8(%rbp),%eax
  lea    -0x1(%rax),%eax
  mov    %rax,-0x170(%rbp)
  shl    $0x3,%rax
  mov    %rax,-0x148(%rbp)
  movslq %ebx,%rdx
  mov    %rdx,-0x150(%rbp)
  lea    0x8(%rdx,%rax,1),%rax
  mov    %rax,-0x158(%rbp)
  mov    $0x0,%r14d
  pxor   %xmm3,%xmm3
  movsd  %xmm3,-0x138(%rbp)
  movsd  %xmm3,-0x130(%rbp)
  movsd  D136(%rip),%xmm7
  movsd  %xmm7,-0x160(%rbp)
  jmp    L520
L396:
  lea    D199(%rip),%rdi
  call   <puts@plt>
  lea    D6(%rip),%rdi
  call   <puts@plt>
  jmp    L538
L496:
  mov    -0xa0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm0
  mov    -0x128(%rbp),%rax
  mov    (%rax,%r14,4),%edi
  mov    D11(%rip),%rax
  movq   %rax,%xmm1
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  mov    $0x2,%eax
  call   <solve_Scattering_State_Atom@plt>
  mov    $0x0,%eax
  call   <Nvalence_Atom@plt>
  mov    %eax,%ebx
  mov    $0x0,%eax
  call   <Ncore_Atom@plt>
  add    %eax,%ebx
  mov    -0xd0(%rbp),%rax
  movsd  D11(%rip),%xmm0
  divsd  (%rax),%xmm0
  call   <log@plt>
  divsd  -0xd8(%rbp),%xmm0
  movsd  D208(%rip),%xmm3
  movapd %xmm0,%xmm2
  movsd  -0x160(%rbp),%xmm5
  movapd %xmm5,%xmm1
  andpd  %xmm0,%xmm1
  ucomisd %xmm1,%xmm3
  jbe    L18
  addsd  %xmm3,%xmm1
  subsd  %xmm3,%xmm1
  andnpd %xmm0,%xmm5
  movapd %xmm5,%xmm2
  orpd   %xmm1,%xmm2
L18:
  cvttsd2si %xmm2,%eax
  mov    %eax,-0x64(%rbp)
  mov    %ebx,%edi
  mov    $0x0,%eax
  call   <r_psi_Atom@plt>
  mov    %eax,%r12d
  mov    %ebx,%edi
  mov    $0x0,%eax
  call   <r_psi_prime_Atom@plt>
  mov    %eax,-0x90(%rbp)
  movslq %r12d,%rsi
  pxor   %xmm0,%xmm0
  cvtsi2sdl -0xa8(%rbp),%xmm0
  addsd  D93(%rip),%xmm0
  mov    -0x64(%rbp),%edi
  mov    $0x1,%eax
  call   <Norm_LogGrid@plt>
  pxor   %xmm1,%xmm1
  cvtsi2sd %eax,%xmm1
  pxor   %xmm0,%xmm0
  ucomisd %xmm1,%xmm0
  ja     L471
  sqrtsd %xmm1,%xmm1
L70:
  movsd  D93(%rip),%xmm0
  divsd  %xmm1,%xmm0
  cmpl   $0x0,-0xb8(%rbp)
  jle    L330
  movslq %r12d,%rdx
  mov    -0x148(%rbp),%rax
  lea    0x8(%rdx,%rax,1),%rcx
  mov    %rdx,%rax
  movslq -0x90(%rbp),%r12
  sub    %rdx,%r12
  mov    -0x78(%rbp),%rdx
  mov    %rdx,%rsi
L101:
  movapd %xmm0,%xmm1
  mulsd  (%rax),%xmm1
  movsd  %xmm1,(%rax)
  lea    (%r12,%rax,1),%rdx
  movapd %xmm0,%xmm1
  mulsd  (%rdx),%xmm1
  movsd  %xmm1,(%rdx)
  add    $0x8,%rax
  cmp    %rcx,%rax
  jne    L101
  mov    %rsi,-0x78(%rbp)
  jmp    L330
L471:
  movapd %xmm1,%xmm0
  call   <sqrt@plt>
  movapd %xmm0,%xmm1
  jmp    L70
L508:
  cvttsd2si %xmm2,%eax
  mov    %eax,-0xb4(%rbp)
  movslq %eax,%r12
  lea    0x0(,%r12,8),%rax
  mov    -0x98(%rbp),%rdx
  lea    (%rdx,%rax,1),%rbx
  mov    %rbx,-0xc8(%rbp)
  movsd  (%rbx),%xmm5
  movsd  %xmm5,-0xf0(%rbp)
  mov    -0x90(%rbp),%rbx
  add    %rax,%rbx
  movsd  (%rbx),%xmm6
  movsd  %xmm6,-0xf8(%rbp)
  pxor   %xmm0,%xmm0
  comisd %xmm6,%xmm0
  ja     L254
L436:
  push   %r13
  push   %r15
  mov    -0x88(%rbp),%r9
  mov    -0x98(%rbp),%r8
  mov    -0x90(%rbp),%rcx
  mov    -0x108(%rbp),%rdx
  movsd  -0x60(%rbp),%xmm1
  mov    -0x78(%rbp),%rax
  movsd  (%rax),%xmm0
  mov    -0xb4(%rbp),%esi
  mov    -0xa8(%rbp),%edi
  mov    $0x2,%eax
  call   <init_xpansion@plt>
  mov    $0x0,%eax
  call   <psi_xpansion@plt>
  mov    $0x0,%eax
  call   <dpsi_xpansion@plt>
  mov    $0x0,%eax
  call   <psp_xpansion@plt>
  add    $0x10,%rsp
  mov    -0x78(%rbp),%rax
  movsd  (%rax),%xmm0
  comisd D33(%rip),%xmm0
  jbe    L84
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  lea    -0x64(%rbp),%rcx
  lea    0x1(%rsi),%edi
  sub    $0x8,%rsp
  push   %r13
  mov    %r15,%r9
  lea    -0x60(%rbp),%r8
  mov    -0x88(%rbp),%rdx
  mov    $0x0,%eax
  call   <R_Schrodinger@plt>
  add    $0x10,%rsp
L312:
  mov    (%rbx),%rbx
  movsd  (%r15,%r12,8),%xmm7
  movsd  %xmm7,-0x88(%rbp)
  mov    -0xc8(%rbp),%rax
  movsd  (%rax),%xmm4
  movsd  %xmm4,-0x90(%rbp)
  mov    0x0(%r13,%r12,8),%r13
  mov    $0x0,%eax
  call   <debug_print@plt>
  test   %eax,%eax
  jne    L504
L565:
  mov    -0xa0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm0
  movsd  %xmm0,-0x60(%rbp)
  mov    $0x0,%eax
  call   <psi_xpansion@plt>
  mov    $0x0,%eax
  call   <dpsi_xpansion@plt>
  mov    $0x0,%eax
  call   <psp_xpansion@plt>
  mov    -0x78(%rbp),%rax
  movsd  (%rax),%xmm0
  comisd D33(%rip),%xmm0
  ja     L120
L407:
  add    $0x1,%r14
  addq   $0x8,-0xc0(%rbp)
  addq   $0x4,-0x80(%rbp)
  cmp    -0x120(%rbp),%r14
  je     L17
L520:
  mov    %r14d,-0xa8(%rbp)
  mov    -0x110(%rbp),%rax
  mov    (%rax,%r14,8),%r15
  mov    -0x118(%rbp),%rax
  mov    (%rax,%r14,8),%r13
  mov    -0xb0(%rbp),%rax
  mov    (%rax,%r14,8),%rax
  mov    %rax,-0x88(%rbp)
  mov    -0xc0(%rbp),%rax
  mov    %rax,-0x78(%rbp)
  pxor   %xmm0,%xmm0
  ucomisd (%rax),%xmm0
  jp     L531
  je     L496
L531:
  mov    -0x128(%rbp),%rax
  mov    (%rax,%r14,4),%edi
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  mov    $0x0,%eax
  call   <state_Atom@plt>
  mov    %eax,%ebx
L330:
  mov    %ebx,%edi
  mov    $0x0,%eax
  call   <r_psi_Atom@plt>
  mov    %eax,-0xe8(%rbp)
  cltq
  mov    %rax,-0x90(%rbp)
  mov    %ebx,%edi
  mov    $0x0,%eax
  call   <r_psi_prime_Atom@plt>
  mov    %eax,-0xfc(%rbp)
  cltq
  mov    %rax,-0x98(%rbp)
  mov    -0xa0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm0
  movsd  %xmm0,-0x60(%rbp)
  mov    -0xe0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm0
  mov    -0xd0(%rbp),%rax
  divsd  (%rax),%xmm0
  call   <log@plt>
  divsd  -0xd8(%rbp),%xmm0
  movsd  D208(%rip),%xmm3
  movapd %xmm0,%xmm2
  movsd  D136(%rip),%xmm1
  andpd  %xmm0,%xmm1
  ucomisd %xmm1,%xmm3
  jbe    L508
  addsd  %xmm3,%xmm1
  subsd  %xmm3,%xmm1
  movsd  D136(%rip),%xmm2
  andnpd %xmm0,%xmm2
  orpd   %xmm1,%xmm2
  jmp    L508
L254:
  cmpl   $0x0,-0xb8(%rbp)
  jle    L436
  movslq -0xe8(%rbp),%rdx
  mov    -0x148(%rbp),%rax
  lea    0x8(%rdx,%rax,1),%rcx
  mov    %rdx,%rax
  movslq -0xfc(%rbp),%rsi
  sub    %rdx,%rsi
  mov    -0x78(%rbp),%rdx
  mov    %rdx,%rdi
L429:
  movsd  (%rax),%xmm0
  xorpd  D194(%rip),%xmm0
  movsd  %xmm0,(%rax)
  lea    (%rsi,%rax,1),%rdx
  movsd  (%rdx),%xmm0
  xorpd  D194(%rip),%xmm0
  movsd  %xmm0,(%rdx)
  add    $0x8,%rax
  cmp    %rcx,%rax
  jne    L429
  mov    %rdi,-0x78(%rbp)
  jmp    L436
L84:
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  movsd  -0xf0(%rbp),%xmm0
  divsd  -0xf8(%rbp),%xmm0
  lea    0x1(%rsi),%edi
  sub    $0x8,%rsp
  push   %r13
  mov    %r15,%r9
  lea    -0x60(%rbp),%r8
  mov    -0xb4(%rbp),%ecx
  mov    -0x88(%rbp),%rdx
  mov    $0x1,%eax
  call   <R_Schrodinger_Fixed_Logderiv@plt>
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  mov    -0xb8(%rbp),%eax
  lea    -0x1(%rax),%ecx
  lea    0x1(%rsi),%edi
  mov    %r13,%r9
  mov    %r15,%r8
  movsd  -0x60(%rbp),%xmm0
  mov    -0x88(%rbp),%rdx
  mov    $0x1,%eax
  call   <R_Schrodinger_Fixed_E@plt>
  movsd  D11(%rip),%xmm0
  mov    -0xd0(%rbp),%rax
  divsd  (%rax),%xmm0
  call   <log@plt>
  divsd  -0xd8(%rbp),%xmm0
  movsd  D208(%rip),%xmm3
  movapd %xmm0,%xmm4
  movsd  D136(%rip),%xmm2
  movapd %xmm0,%xmm1
  andpd  %xmm2,%xmm1
  ucomisd %xmm1,%xmm3
  jbe    L454
  addsd  %xmm3,%xmm1
  subsd  %xmm3,%xmm1
  andnpd %xmm0,%xmm2
  movapd %xmm1,%xmm4
  orpd   %xmm2,%xmm4
L454:
  cvttsd2si %xmm4,%edi
  mov    %edi,-0x64(%rbp)
  pxor   %xmm0,%xmm0
  cvtsi2sdl -0xa8(%rbp),%xmm0
  addsd  D93(%rip),%xmm0
  mov    %r15,%rsi
  mov    $0x1,%eax
  call   <Norm_LogGrid@plt>
  pxor   %xmm1,%xmm1
  cvtsi2sd %eax,%xmm1
  add    $0x10,%rsp
  pxor   %xmm0,%xmm0
  ucomisd %xmm1,%xmm0
  ja     L126
  sqrtsd %xmm1,%xmm1
L220:
  movsd  D93(%rip),%xmm0
  divsd  %xmm1,%xmm0
  cmpl   $0x0,-0xb8(%rbp)
  jle    L312
  mov    $0x0,%eax
  mov    -0x170(%rbp),%rcx
  mov    -0x78(%rbp),%rdx
  mov    %rdx,%rsi
L317:
  movapd %xmm0,%xmm1
  mulsd  (%r15,%rax,8),%xmm1
  movsd  %xmm1,(%r15,%rax,8)
  movapd %xmm0,%xmm1
  mulsd  0x0(%r13,%rax,8),%xmm1
  movsd  %xmm1,0x0(%r13,%rax,8)
  mov    %rax,%rdx
  add    $0x1,%rax
  cmp    %rcx,%rdx
  jne    L317
  mov    %rsi,-0x78(%rbp)
  jmp    L312
L126:
  movapd %xmm1,%xmm0
  call   <sqrt@plt>
  movapd %xmm0,%xmm1
  jmp    L220
L504:
  movsd  -0x90(%rbp),%xmm5
  movq   %r13,%xmm3
  divsd  %xmm3,%xmm5
  movq   D136(%rip),%xmm0
  andpd  %xmm0,%xmm5
  movq   %rbx,%xmm4
  divsd  -0x88(%rbp),%xmm4
  andpd  %xmm0,%xmm4
  mov    -0xe0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm0
  movsd  -0x60(%rbp),%xmm3
  mov    -0xa0(%rbp),%rax
  movsd  (%rax,%r14,8),%xmm2
  mov    -0xd0(%rbp),%rax
  movsd  (%rax,%r12,8),%xmm1
  mov    -0x80(%rbp),%rax
  mov    (%rax),%esi
  lea    D179(%rip),%rdi
  mov    $0x6,%eax
  call   <printf@plt>
  jmp    L565
L120:
  movapd %xmm0,%xmm1
  mulsd  -0x60(%rbp),%xmm1
  addsd  -0x138(%rbp),%xmm1
  movsd  %xmm1,-0x138(%rbp)
  addsd  -0x130(%rbp),%xmm0
  movsd  %xmm0,-0x130(%rbp)
  cmpl   $0x0,-0xb8(%rbp)
  jle    L407
  mov    -0x150(%rbp),%rbx
  mov    %rbx,%rax
  mov    %r15,%rdx
  sub    %rbx,%rdx
  mov    -0x140(%rbp),%rcx
  sub    %rbx,%rcx
  mov    -0x158(%rbp),%rsi
  mov    -0x78(%rbp),%rbx
L371:
  movsd  (%rdx,%rax,1),%xmm0
  divsd  (%rax),%xmm0
  mulsd  %xmm0,%xmm0
  mulsd  (%rbx),%xmm0
  addsd  (%rcx,%rax,1),%xmm0
  movsd  %xmm0,(%rcx,%rax,1)
  add    $0x8,%rax
  cmp    %rsi,%rax
  jne    L371
  jmp    L407
L387:
  addl   $0x1,-0x78(%rbp)
  mov    -0x78(%rbp),%edi
  mov    (%r12),%esi
  add    $0x1,%rbx
  movslq %esi,%rax
  mov    0x0(%r13,%rax,4),%eax
  sub    $0x1,%eax
  cmp    %edi,%eax
  jle    L333
L335:
  mov    -0x8(%r14,%rbx,8),%r9
  lea    -0x64(%rbp),%rcx
  mov    -0x78(%rbp),%eax
  lea    0x2(%rsi,%rax,1),%edi
  sub    $0x8,%rsp
  push   -0x8(%r15,%rbx,8)
  mov    -0x90(%rbp),%r8
  mov    -0x80(%rbp),%rdx
  mov    $0x0,%eax
  call   <R_Schrodinger@plt>
  mov    %ebx,-0x88(%rbp)
  mov    $0x0,%eax
  call   <debug_print@plt>
  add    $0x10,%rsp
  test   %eax,%eax
  je     L387
  mov    (%r12),%esi
  mov    -0x78(%rbp),%eax
  lea    0x2(%rsi,%rax,1),%edx
  movsd  -0x60(%rbp),%xmm0
  lea    D141(%rip),%rdi
  mov    $0x1,%eax
  call   <printf@plt>
  jmp    L387
L333:
  addq   $0x1,-0x98(%rbp)
  mov    -0x98(%rbp),%rax
  addq   $0x4,-0xa8(%rbp)
  cmp    %eax,-0xe4(%rbp)
  jle    L274
L264:
  mov    -0xb0(%rbp),%rdx
  mov    -0x98(%rbp),%rax
  mov    (%rdx,%rax,8),%rbx
  mov    %rbx,-0x80(%rbp)
  mov    -0xa0(%rbp),%rdx
  movsd  D220(%rip),%xmm0
  addsd  (%rdx,%rax,8),%xmm0
  movsd  %xmm0,-0x60(%rbp)
  mov    -0xa8(%rbp),%rax
  mov    %rax,%r12
  mov    (%rax),%esi
  movslq %esi,%rax
  cmpl   $0x1,0x0(%r13,%rax,4)
  jle    L333
  mov    -0x88(%rbp),%ebx
  add    $0x1,%ebx
  movslq %ebx,%rbx
  mov    $0x0,%eax
  mov    %eax,-0x78(%rbp)
  jmp    L335
L314:
  mov    %rdx,%rcx
  add    (%rsi),%rcx
  movsd  (%rcx),%xmm0
  subsd  (%rax),%xmm0
  subsd  (%rdi,%rax,1),%xmm0
  subsd  (%r11,%rax,1),%xmm0
  movsd  %xmm0,(%rcx)
  add    $0x8,%rdx
  add    $0x8,%rax
  cmp    %r8,%rdx
  jne    L314
L522:
  add    $0x8,%rsi
  cmp    %rsi,%r10
  je     L203
L554:
  mov    %r9,%rax
  mov    $0x0,%edx
  test   %ebx,%ebx
  jg     L314
  jmp    L522
L203:
  mov    -0x88(%rbp),%rdi
  mov    $0x0,%eax
  call   <dealloc_LogGrid@plt>
  mov    %r13,%rdi
  mov    $0x0,%eax
  call   <dealloc_LogGrid@plt>
  mov    %r14,%rdi
  mov    $0x0,%eax
  call   <dealloc_LogGrid@plt>
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <dealloc_LogGrid@plt>
  mov    -0x38(%rbp),%rax
  sub    %fs:0x28,%rax
  jne    L448
  lea    -0x28(%rbp),%rsp
  pop    %rbx
  pop    %r12
  pop    %r13
  pop    %r14
  pop    %r15
  pop    %rbp
  ret
L428:
  lea    -0x58(%rbp),%rcx
  lea    -0x48(%rbp),%rdx
  mov    %r13,%rsi
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <R_Exchange_DFT@plt>
  lea    -0x50(%rbp),%rcx
  lea    -0x40(%rbp),%rdx
  mov    %r14,%rsi
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <R_Correlation_DFT@plt>
  mov    %r13,%rdi
  mov    $0x0,%eax
  call   <R_Screening_Cut@plt>
  mov    %r14,%rdi
  mov    $0x0,%eax
  call   <R_Screening_Cut@plt>
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <Integrate_LogGrid@plt>
  pxor   %xmm0,%xmm0
  cvtsi2sd %eax,%xmm0
  movsd  %xmm0,-0x58(%rbp)
  jmp    L415
L476:
  mov    $0x0,%eax
  call   <debug_print@plt>
  test   %eax,%eax
  jne    L155
  pxor   %xmm3,%xmm3
  movsd  %xmm3,-0x138(%rbp)
  movsd  %xmm3,-0x130(%rbp)
L274:
  mov    $0x0,%eax
  call   <alloc_LogGrid@plt>
  mov    %eax,-0xa0(%rbp)
  movslq %eax,%rbx
  mov    %rbx,-0x88(%rbp)
  mov    $0x0,%eax
  call   <alloc_LogGrid@plt>
  mov    %eax,-0x80(%rbp)
  movslq %eax,%r13
  mov    $0x0,%eax
  call   <alloc_LogGrid@plt>
  mov    %eax,%r15d
  movslq %eax,%r14
  mov    %rbx,%rsi
  movsd  -0x130(%rbp),%xmm0
  mov    -0x140(%rbp),%rdi
  mov    $0x1,%eax
  call   <R_Hartree_DFT@plt>
  pxor   %xmm5,%xmm5
  cvtsi2sd %eax,%xmm5
  movsd  %xmm5,-0x90(%rbp)
  mulsd  D193(%rip),%xmm5
  movsd  %xmm5,-0x98(%rbp)
  mov    $0x0,%eax
  call   <alloc_LogGrid@plt>
  movslq %eax,%r12
  mov    -0xb8(%rbp),%edx
  test   %edx,%edx
  jle    L428
  mov    %r12,%rbx
  mov    %edx,%eax
  lea    0x0(,%rax,8),%r10
  lea    (%r10,%r12,1),%rsi
  mov    %r12,%rax
  mov    -0x140(%rbp),%rcx
  sub    %r12,%rcx
  mov    -0x1b0(%rbp),%rdx
  sub    %r12,%rdx
  mov    %r10,%rdi
L560:
  movsd  (%rcx,%rax,1),%xmm0
  addsd  (%rdx,%rax,1),%xmm0
  movsd  %xmm0,(%rax)
  add    $0x8,%rax
  cmp    %rsi,%rax
  jne    L560
  mov    %rdi,-0x78(%rbp)
  lea    -0x58(%rbp),%rcx
  lea    -0x48(%rbp),%rdx
  mov    %r13,%rsi
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <R_Exchange_DFT@plt>
  lea    -0x50(%rbp),%rcx
  lea    -0x40(%rbp),%rdx
  mov    %r14,%rsi
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <R_Correlation_DFT@plt>
  mov    %r13,%rdi
  mov    $0x0,%eax
  call   <R_Screening_Cut@plt>
  mov    %r14,%rdi
  mov    $0x0,%eax
  call   <R_Screening_Cut@plt>
  movslq -0x80(%rbp),%rdi
  mov    -0x78(%rbp),%r10
  lea    (%rdi,%r10,1),%rsi
  mov    %rdi,%rax
  mov    %rbx,%rcx
  sub    %rdi,%rcx
  mov    -0x140(%rbp),%rdx
  sub    %rdi,%rdx
  mov    %r10,%rdi
L46:
  movsd  (%rdx,%rax,1),%xmm0
  mulsd  (%rax),%xmm0
  movsd  %xmm0,(%rcx,%rax,1)
  add    $0x8,%rax
  cmp    %rsi,%rax
  jne    L46
  mov    %rdi,-0x78(%rbp)
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <Integrate_LogGrid@plt>
  pxor   %xmm0,%xmm0
  cvtsi2sd %eax,%xmm0
  movsd  %xmm0,-0x58(%rbp)
  movslq %r15d,%rcx
  mov    -0x78(%rbp),%rsi
  add    %rcx,%rsi
  mov    %rcx,%rax
  sub    %rcx,%rbx
  mov    -0x140(%rbp),%rdx
  sub    %rcx,%rdx
L13:
  movsd  (%rdx,%rax,1),%xmm0
  mulsd  (%rax),%xmm0
  movsd  %xmm0,(%rbx,%rax,1)
  add    $0x8,%rax
  cmp    %rax,%rsi
  jne    L13
L415:
  mov    %r12,%rdi
  mov    $0x0,%eax
  call   <Integrate_LogGrid@plt>
  pxor   %xmm1,%xmm1
  cvtsi2sd %eax,%xmm1
  movsd  %xmm1,-0x50(%rbp)
  movsd  -0x48(%rbp),%xmm4
  movsd  -0x40(%rbp),%xmm2
  movsd  -0x58(%rbp),%xmm3
  movsd  -0x138(%rbp),%xmm0
  movsd  -0x98(%rbp),%xmm7
  addsd  %xmm7,%xmm0
  addsd  %xmm4,%xmm0
  addsd  %xmm2,%xmm0
  movsd  -0x90(%rbp),%xmm5
  subsd  %xmm5,%xmm0
  subsd  %xmm3,%xmm0
  subsd  %xmm1,%xmm0
  mov    -0x178(%rbp),%rax
  movsd  %xmm0,(%rax)
  mov    -0x180(%rbp),%rax
  movsd  %xmm7,(%rax)
  mov    -0x188(%rbp),%rax
  movsd  %xmm5,(%rax)
  mov    -0x190(%rbp),%rax
  movsd  %xmm4,(%rax)
  mov    -0x198(%rbp),%rax
  movsd  %xmm3,(%rax)
  mov    -0x1a0(%rbp),%rax
  movsd  %xmm2,(%rax)
  mov    -0x1a8(%rbp),%rax
  movsd  %xmm1,(%rax)
  mov    -0xe4(%rbp),%eax
  test   %eax,%eax
  jle    L203
  mov    -0xb0(%rbp),%rbx
  mov    %rbx,%rsi
  lea    -0x1(%rax),%eax
  lea    0x8(%rbx,%rax,8),%r10
  mov    -0xb8(%rbp),%ebx
  lea    -0x1(%rbx),%eax
  lea    0x8(,%rax,8),%r8
  movslq -0xa0(%rbp),%r9
  movslq -0x80(%rbp),%rdi
  sub    %r9,%rdi
  movslq %r15d,%r11
  sub    %r9,%r11
  jmp    L554
L17:
  mov    $0x0,%eax
  call   <debug_print@plt>
  test   %eax,%eax
  jne    L529
L277:
  mov    -0x168(%rbp),%rax
  mov    %rax,-0xa8(%rbp)
  mov    $0x0,%r15d
  movl   $0x0,-0x88(%rbp)
  lea    -0x60(%rbp),%r14
  mov    %r15,-0x98(%rbp)
  mov    -0x1b8(%rbp),%r13
  mov    -0x1c8(%rbp),%r15
  mov    %r14,-0x90(%rbp)
  mov    -0x1c0(%rbp),%r14
  jmp    L264
L155:
  lea    D28(%rip),%rdi
  call   <puts@plt>
  lea    D237(%rip),%rdi
  call   <puts@plt>
  pxor   %xmm4,%xmm4
  movsd  %xmm4,-0x138(%rbp)
  movsd  %xmm4,-0x130(%rbp)
  jmp    L274
L529:
  lea    D28(%rip),%rdi
  call   <puts@plt>
  lea    D237(%rip),%rdi
  call   <puts@plt>
  jmp    L277
L448:
  call   <__stack_chk_fail@plt>
```

tool_calls: name: retrieve_data
arguments: data_tag: D136
type_guessed: qword
name: retrieve_data
arguments: data_tag: D199
type_guessed: string
name: retrieve_data
arguments: data_tag: D6
type_guessed: string
name: retrieve_data
arguments: data_tag: D11
type_guessed: f64
name: retrieve_data
arguments: data_tag: D208
type_guessed: f32[2]
name: retrieve_data
arguments: data_tag: D93
type_guessed: f64
name: retrieve_data
arguments: data_tag: D33
type_guessed: f32[4]
name: retrieve_data
arguments: data_tag: D194
type_guessed: f32[4]
name: retrieve_data
arguments: data_tag: D179
type_guessed: string
name: retrieve_data
arguments: data_tag: D141
type_guessed: string
name: retrieve_data
arguments: data_tag: D220
type_guessed: f64
name: retrieve_data
arguments: data_tag: D193
type_guessed: f64
name: retrieve_data
arguments: data_tag: D28
type_guessed: string
name: retrieve_data
arguments: data_tag: D237
type_guessed: string

tool: D136: 9223372036854775807

tool: D199: 

Troullier pseudopotential check


tool: D6: l	rcore     rmatch    E in       E psp      norm test slope test

tool: D11: 20

tool: {"D208": [0.0,176.0]}

tool: D93: 1

tool: {"D33": [0.0,0.0,0.0,-0.0]}

tool: {"D194": [0.0,-0.0,0.0,0.0]}

tool: D179: %d	%lf  %lf  %lf  %lf  %lf  %lf


tool: D141: %d	%d	%lf


tool: D220: 0.1

tool: D193: 0.5

tool: D28: 

Troullier pseudopotential extra states


tool: D237: l	n	E psp

assistant: ```c
void solve_Troullier(num_psp, n_psp, l_psp, e_psp, fill_psp, rcut_psp, r_psi_psp, r_psi_prime_psp, rho_psp, rho_semicore, V_psp, eall_psp, eh_psp, ph_psp, ex_psp, px_psp, ec_psp, pc_psp, kb_expansion, r_psi_extra, r_psi_prime_extra) int num_psp;
int n_psp[];
int l_psp[];
double e_psp[];
double fill_psp[];
double rcut_psp[];
double **r_psi_psp;
double **r_psi_prime_psp;
double *rho_psp;
double *rho_semicore;
double **V_psp;
double *eall_psp;
double *eh_psp;
double *ph_psp;
double *ex_psp;
double *px_psp;
double *ec_psp;
double *pc_psp;
int kb_expansion[];
double **r_psi_extra;
double **r_psi_prime_extra;
{
  int istate, i, l, k, match, mch, Ngrid;
  double al, amesh, rmax, Zion;
  double gamma, gpr, nu0;
  double ldpsi_match;
  double el, eeig;
  double ph, px, pc, eh, ex, ec;
  double *ul, *ul_prime;
  double *wl, *wl_prime;
  double *r, *Vh, *Vx, *Vc, *rho_total, *Vall, *Vl;
  Vall = Vall_Atom();
  r = r_LogGrid();
  Ngrid = N_LogGrid();
  al = log_amesh_LogGrid();
  amesh = amesh_LogGrid();
  eeig = 0.0;
  Zion = 0.0;
  for (k = 0; k < Ngrid; ++k)
    rho_psp[k] = 0.0;
  if (debug_print()) {
    printf("\n\nTroullier pseudopotential check\n\n");
    printf("l\trcore     rmatch    E in       E psp      norm test slope test\n");
  }
  for (l = 0; l < (num_psp); ++l) {
    wl = r_psi_psp[l];
    wl_prime = r_psi_prime_psp[l];
    Vl = V_psp[l];
    if (fill_psp[l] == 0.0) {
      rmax = 20.0;
      solve_Scattering_State_Atom(n_psp[l], l_psp[l], e_psp[l], rmax);
      istate = Nvalence_Atom() + Ncore_Atom();
      mch = rint(log(rmax / r[0]) / al);
      ul = r_psi_Atom(istate);
      ul_prime = r_psi_prime_Atom(istate);
      nu0 = Norm_LogGrid(mch, (l + 1.0), ul);
      nu0 = 1.0 / sqrt(nu0);
      for (i = 0; i < Ngrid; ++i) {
        ul[i] = ul[i] * nu0;
        ul_prime[i] = ul_prime[i] * nu0;
      }
    } else
      istate = state_Atom(n_psp[l], l_psp[l]);
    ul = r_psi_Atom(istate);
    ul_prime = r_psi_prime_Atom(istate);
    el = e_psp[l];
    match = rint(log(rcut_psp[l] / r[0]) / al);
    ldpsi_match = ul_prime[match] / ul[match];
    if (ul[match] < 0.0) {
      nu0 = -1.0;
      for (i = 0; i < Ngrid; ++i) {
        ul[i] = ul[i] * nu0;
        ul_prime[i] = ul_prime[i] * nu0;
      }
    }
    init_xpansion(l, match, fill_psp[l], el, Vall, ul, ul_prime, Vl, wl, wl_prime);
    psi_xpansion();
    dpsi_xpansion();
    psp_xpansion();
    if (fill_psp[l] > 0.0) {
      R_Schrodinger(l_psp[l] + 1, l_psp[l], Vl, &mch, &el, wl, wl_prime);
    } else {
      R_Schrodinger_Fixed_Logderiv(l_psp[l] + 1, l_psp[l], Vl, match, ldpsi_match, &el, wl, wl_prime);
      R_Schrodinger_Fixed_E(l_psp[l] + 1, l_psp[l], Vl, Ngrid - 1, el, wl, wl_prime);
      rmax = 20.0;
      mch = rint(log(rmax / r[0]) / al);
      nu0 = Norm_LogGrid(mch, (l + 1.0), wl);
      nu0 = 1.0 / sqrt(nu0);
      for (i = 0; i < Ngrid; ++i) {
        wl[i] = wl[i] * nu0;
        wl_prime[i] = wl_prime[i] * nu0;
      }
    }
    gamma = fabs(ul[match] / wl[match]);
    gpr = fabs(ul_prime[match] / wl_prime[match]);
    if (debug_print()) {
      printf("%d\t%lf  %lf  %lf  %lf  %lf  %lf\n", l_psp[l], rcut_psp[l], r[match], e_psp[l], el, gamma, gpr);
    }
    el = e_psp[l];
    psi_xpansion();
    dpsi_xpansion();
    psp_xpansion();
    if (fill_psp[l] > 0.0) {
      eeig += fill_psp[l] * el;
      Zion += fill_psp[l];
      for (k = 0; k < Ngrid; ++k)
        rho_psp[k] += fill_psp[l] * pow(wl[k] / r[k], 2.0);
    }
  }
  if (debug_print()) {
    printf("\n\nTroullier pseudopotential extra states\n\n");
    printf("l\tn\tE psp\n");
  }
  i = 0;
  for (l = 0; l < num_psp; ++l) {
    Vl = V_psp[l];
    el = e_psp[l] + 0.1;
    for (k = 0; k < (kb_expansion[l_psp[l]] - 1); ++k) {
      wl = r_psi_extra[i];
      wl_prime = r_psi_prime_extra[i];
      R_Schrodinger(l_psp[l] + 2 + k, l_psp[l], Vl, &mch, &el, wl, wl_prime);
      ++i;
      if (debug_print())
        printf("%d\t%d\t%lf\n", l_psp[l], l_psp[l] + 2 + k, el);
    }
  }
  Vh = alloc_LogGrid();
  Vx = alloc_LogGrid();
  Vc = alloc_LogGrid();
  ph = R_Hartree_DFT(rho_psp, Zion, Vh);
  eh = 0.5 * ph;
  rho_total = alloc_LogGrid();
  for (k = 0; k < Ngrid; ++k)
    rho_total[k] = rho_psp[k] + rho_semicore[k];
  R_Exchange_DFT(rho_total, Vx, &ex, &px);
  R_Correlation_DFT(rho_total, Vc, &ec, &pc);
  R_Screening_Cut(Vx);
  R_Screening_Cut(Vc);
  for (k = 0; k < Ngrid; ++k)
    rho_total[k] = (rho_psp[k]) * Vx[k];
  px = Integrate_LogGrid(rho_total);
  for (k = 0; k < Ngrid; ++k)
    rho_total[k] = (rho_psp[k]) * Vc[k];
  pc = Integrate_LogGrid(rho_total);
  *eall_psp = eeig + eh + ex + ec - ph - px - pc;
  *eh_psp = eh;
  *ph_psp = ph;
  *ex_psp = ex;
  *px_psp = px;
  *ec_psp = ec;
  *pc_psp = pc;
  for (l = 0; l < num_psp; ++l)
    for (k = 0; k < Ngrid; ++k)
      V_psp[l][k] = V_psp[l][k] - Vh[k] - Vx[k] - Vc[k];
  dealloc_LogGrid(Vh);
  dealloc_LogGrid(Vx);
  dealloc_LogGrid(Vc);
  dealloc_LogGrid(rho_total);
}
```