# # Licensed to the Apache Software Foundation (ASF) under one # or more contributor license agreements. See the NOTICE file # distributed with this work for additional information # regarding copyright ownership. The ASF licenses this file # to you under the Apache License, Version 2.0 (the # "License"); you may not use this file except in compliance # with the License. You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, # software distributed under the License is distributed on an # "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY # KIND, either express or implied. See the License for the # specific language governing permissions and limitations # under the License. # &CONTROL calculation = "relax" , restart_mode = "from_scratch" , outdir = "./tmp/" , pseudo_dir = "./" , disk_io = "default" , verbosity = "default" , tstress = .true. , tprnfor = .true. , nstep = 1 , etot_conv_thr = 1.0E-5 , forc_conv_thr = 1.0D-3 , iprint = 1 , max_seconds = 36000 , dt = 50 , / &SYSTEM ibrav = 0 , A = 3.01728916 , B = 3.01728916 , C = 3.01728916 , cosAB = 0.50000000 , cosAC = 0.50000000 , cosBC = 0.50000000 ,