ELF`*4(UWVS-u$8u$0zu(zؐt&D$<D$ D$D$$@08@T$ 0؋5 + 1f9u\$XD$X-   T$0ݜ$t%\$x؃ȿ$"١08@ˋ\$(\$ǃLLLD$P\$$ݜ$D$T\$$L$D$ =5D$(\$(9D$ =L$D$(D$X-D$0 $ʅ55- D$`9݉D$dT<T$d|$|$`<׉)9ȍ4<$t$D$|$9}1ɅI˅ 1҃I1=ʍ 1O EЉ$r D$h08@\$\$(4\$8\$@TD$h \$H(X\$PfBBD$D$(D$8XD$@D$HD$PXX9uT$d5<DT$`\$ D$ ‹D$h4C vt&vfrr rt&v%tAD$0 D$ZZ9I؉,$@5 DًT5Lڋ$$ލ&ȉؙ<9 D$l$D$lT$lD$lݔ$ u D$P|$݄$$\$D$D$ =ܤ$5 t&[^_]Ã9&9}v08 2f ؍v݄$D$P|$\$$D$D$ =E]v؋$tA݄$D$T|$\$$D$D$ =E]t&9@ Dt$ , %D$x r\$8\$0\$(݄$D$P|$\$$D$D$ =݄$%D$0 D$( D$8݄$D$P|$\$$D$D$ =[$$DŽ$DŽ$$DŽ$$$DŽ$DŽ$$DŽ$XDŽ$SDŽ$$$DŽ$DŽ$$DŽ$DŽ$NDŽ$$$DŽ$DŽ$$DŽ$DŽ$DDŽ$$$DŽ$DŽ$$DŽ$$$DŽ$DŽ$$DŽ$@DŽ$7DŽ$$D$D$$$$DŽ$DŽ$$DŽ$xDŽ$9DŽ$D$D$$$$DŽ$DŽ$$DŽ$DŽ$RDŽ$$D$$D$$$DŽ$DŽ$$DŽ$DŽ$7DŽ$$D$D$$D$X-L$0D$ =5ݜ$$$DŽ$DŽ$$DŽ$$$DŽ$DŽ$DŽ$@DŽ$SDŽ$$$uM$DŽ$DŽ$DŽ$$$\$X;$DŽ$DŽ$$DŽ$$DŽ$v$DŽ$DŽ$D$DŽ$XDŽ$$DŽ$DŽ$DŽ$DŽ$\$DŽ$$$$DŽ$DŽ$$DŽ$DŽ$:DŽ$D$xD$D$$$$DŽ$DŽ$$DŽ$4DŽ$%DŽ$D$D$$$$DŽ$DŽ$$DŽ$NDŽ$$DŽ$DŽ$DŽ$DŽ$_݄$D$P|$\$$D$D$ =݄$%5 \\$8\$0\$(݄$D$P|$\$$D$D$ =݄$%D$0 D$( D$8\$0\$(\$$\$ D$0D$(D$$D1:$3. lattice vector has to be orthogonal to others and along zadd_monofield(5x,"Adding monopole plane to compensate the charge of the system - add_monofield")(5x,"see PRB 89, 245406 (2014), works only for 2D systems perpendicular to z")(5x," i.e. 3rd lattice vector is (0,0,c)")(8x,"prefactor of the potential in [Ha a.u.]: ", f12.6)(8x," position of the monopole within cell: ", f8.5)(8x," ion-monopole + monopole-monopole contribution to the total energy: ", f12.6)(8x," monopole-monopole contribution: ", f12.6)(8x,"Allow relaxation in z-direction (i.e. disabled control for total force = 0) ")(8x,"Adding potential to prevent charge spilling into region of the monopole")(8x,"Potential is linearly increased and decreased within the first/last eopreg of block_size")(8x,"Adding potential to prevent interaction between lower and upper part of unit cell")(8x,"Potential is linearly increased and decreased within the first/last 10% of block_size")(8x,"block_size = ", f8.5," in units of unit cell length")(8x,"block_height = ", f8.5," in Ry")Integer overflow when calculating the amount of memory to allocateAllocation would exceed memory limitadd_monofield.f90@??fff?*>=-DT!@-DT!)@<V D znst%&nsp%znsw%nr1%&4nr2%&8nr3%&<k%&@%&DZ%&Hnpl%&Lnnp%&Pnnr%&Tngl%Xnwl%pnpp% ipp%.iss%R]%v%%9%4%&0%&4%&8%&<M%@0.&### 40.&### 40.&### 40.& ### 40.&.### 40.&R### 40.&v### 40.&### 40.&### 40.&### 40.&### 4  DV % $     - F _ n }        6 E S b p      W   S     7 86| 7 :idx4& 4& 6 e7 5&ir5&k4& 6| 6}na5& 7 7| 6&xau8f x7x,  *@9XH=[ln: Z ($Xj{r% -$#&$ N& :=McVHTS>{_!0.-### 8## #8zatbg pi&&Cnat&zv)tau} 0.&### 4 & 0.W### 8## #8f&0.### 8## #8&% B $ >  : ;  : ; I8  : ; I8  : ; I8PNI!"/Q .?: ; n@B : ;  : ; I 4: ; I 4: ; I4: ; I4I4 'I U  I<4: ; nI?< PNI4: ; nI?<.?: ; nI<I I!I/ I!I&IV2`2`eg.I( add_monofield.f90 6J9 +,4(Kgci+L/CeuWg:>u-Y-.T2( fwf1q Jw.h}KJ %[+MvhMs% p.#J/f1knQ *&JftfJti f$0HLhA~Yf<6(=7*!*>w(DSSS=nkn=S B=YHSkypH7ss~!t itypcomm__cell_base_MOD_bgomega__mp_bands_MOD_me_bgrpforce_modadd_monofield_linearnr3x__extfield_MOD_block_height__extfield_MOD_relaxz__ions_base_MOD_nat__extfield_MOD_eopregdfftp__klist_MOD_nelecmonoargmp_bandsinteger(kind=4)iplpblock_1__extfield_MOD_blockvalue__extfield_MOD_monopolemypeiplwforcemonozmonlforcedipfieldisind__force_mod_MOD_lforcecell_base__cell_base_MOD_alatidx0__extfield_MOD_zmonismapmonoampblocketotmonofieldadd_monofieldquadraticnprocbmod__cell_base_MOD_omegafft_type_descriptor__extfield_MOD_block_2block_sizeions_baselpara__extfield_MOD_dipfieldnr1xmopoplazvia__ions_base_MOD_tauklist/mit/espresso_v6.1/i386_ubuntu1404/qe-6.1/PW/srcionodeextfieldsgn1__io_global_MOD_ionodeblock_2nelecalatvpotenGNU Fortran 4.8.4 -mtune=generic -march=i686 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/i686-linux-gnu/4.8/finclude__extfield_MOD_block_1logical(kind=4)__ions_base_MOD_ityprelaxz__cell_base_MOD_mopoplaeopregtvectb__cell_base_MOD_at__fft_base_MOD_dfftpion_dipole__ions_base_MOD_zvadd_monofield.f90__io_global_MOD_stdoutionic_chargefft_basereal(kind=8)block_heightnr2xme_bgrpmonopolearearootstdoutipol__extfield_MOD_forcemonofirstio_globalGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4zR| HVNA AAFAA AAB.symtab.strtab.shstrtab.rel.text.data.bss.rodata.rodata.str1.4.rodata.str1.1.rodata.cst4.rodata.cst8.rel.debug_info.debug_abbrev.rel.debug_aranges.debug_ranges.rel.debug_line.debug_str.comment.note.GNU-stack.rel.eh_frame@V 5 %+0Y82iG2aVt ctp >` } ! 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"##."4 BJ P$a#ms$ %  &&&&&& &S'a(!!!%7A&"( < J o)*+++,++"+Yg w-."# . /J^z "# "#(G+M+^$u-"  "#  " /  G V "[ #a  q y / 0  1 2 0   1 2 0( E ` 1h 2m 0{   1 2 0  1 2 0 ( C 1^ 3f 2k 0y   1 " 3 2 0   17 3? 2D 0R o  1    3 2 % 4 0 % 1- 22 0@ V x 1 2  0  1 2 0  12-#00Ik1s2~01201)31260Da|1/32012 1@"E#K [j p.v/"# "/ 5:?6MR7 ").,9FS`m ,7CS^it +:I\o %.4>GMW`fou~.7=KTZhqw 5