Program LD1 v.7.1 starts on 31Oct2023 at 15:13:24 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI & OpenMP), running on       1 processor cores
     Number of MPI processes:                 1
     Threads/MPI process:                     1

     MPI processes distributed on     1 nodes
     6131 MiB available memory on the printing compute node when the environment starts

     Reading input from Ch2.ld100.in
     --------------------------- All-electron run ----------------------------

     C                                                                          
     scalar relativistic calculation

     atomic number is  6.00
     dft =PBE   lsd =0 sic =0 latt =0  beta=0.20 tr2=1.0E-14
     Exchange-correlation= PBE
                           (   1   4   3   4   0   0   0)
     mesh =1073 r(mesh) = 100.30751 a.u. xmin = -7.00 dx = 0.01250
     1 Ry =  13.60569312 eV, c = 137.03599908

     n l     nl                  e(Ry)          e(Ha)          e(eV)
     1 0     1S 1( 0.00)       -29.1879       -14.5940      -397.1219
     2 0     2S 1( 2.00)        -3.7314        -1.8657       -50.7685
     2 1     2P 1( 2.00)        -3.2505        -1.6252       -44.2251
     3 0     3S 1( 0.00)        -0.9795        -0.4897       -13.3268
     3 1     3P 1( 0.00)        -0.8384        -0.4192       -11.4068

     final scf error:  6.2E-15 reached in  29 iterations

     Etot =     -26.092249 Ry,     -13.046125 Ha,    -355.003133 eV

     Ekin =      25.906947 Ry,      12.953473 Ha,     352.481969 eV
     Encl =     -61.086344 Ry,     -30.543172 Ha,    -831.122044 eV
     Eh   =      13.364315 Ry,       6.682158 Ha,     181.830773 eV
     Exc  =      -4.277168 Ry,      -2.138584 Ha,     -58.193831 eV


     normalization and overlap integrals

     s(1S/1S) =  1.000000  <r> =   0.2484  <r2> =    0.0827  r(max) =   0.1646
     s(1S/2S) = -0.000173
     s(1S/3S) = -0.000067
     s(2S/2S) =  1.000000  <r> =   1.1559  <r2> =    1.5827  r(max) =   0.9472
     s(2S/3S) = -0.000038
     s(2P/2P) =  1.000000  <r> =   1.0176  <r2> =    1.2801  r(max) =   0.7659
     s(2P/3P) = -0.000031
     s(3S/3S) =  1.000000  <r> =   3.3254  <r2> =   12.5991  r(max) =   2.9914
     s(3P/3P) =  1.000000  <r> =   3.4135  <r2> =   13.4413  r(max) =   3.0290

     ------------------------ End of All-electron run ------------------------


     --------------------- Generating US pseudopotential ---------------------


      Generating local potential from pseudized AE potential:
      Matching radius rcloc =   1.0000

      Local pseudo, rcloc= 1.008 Estimated cut-off energy=    22.69 Ry

      Computing core charge for nlcc: 
     Message from routine find_qi:
     qmax not found 

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine compute_phius (1):
     problems with find_qi
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...